CID 177788568

2-[(tert-butoxy)carbonyl]-1-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1(C2)CO)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(18)14-7-12(9(16)17)4-5-13(14,6-12)8-15/h15H,4-8H2,1-3H3,(H,16,17)
InChIKey
QHIVKJKUGODAAD-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 164.6
[M+Na]+ 294.13119 170.9
[M-H]- 270.13469 163.4
[M+NH4]+ 289.17579 187.3
[M+K]+ 310.10513 169.7
[M+H-H2O]+ 254.13923 162.5
[M+HCOO]- 316.14017 177.9
[M+CH3COO]- 330.15582 190.1
[M+Na-2H]- 292.11664 167.7
[M]+ 271.14142 165.8
[M]- 271.14252 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.