CID 155978359

1-({[(tert-butoxy)carbonyl]amino}methyl)-2-oxabicyclo[3.1.1]heptane-4-carboxylic acid

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)C(CO2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-13-4-8(5-13)9(6-18-13)10(15)16/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
KAIDDIOIZWQXGQ-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[3.1.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 163.8
[M+Na]+ 294.13119 165.0
[M+NH4]+ 289.17579 167.6
[M+K]+ 310.10513 162.5
[M-H]- 270.13469 157.5
[M+Na-2H]- 292.11664 157.6
[M]+ 271.14142 160.7
[M]- 271.14252 160.7
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.