CID 58009944

4-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC12CCC(C1)(CC2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-13-6-4-12(8-13,5-7-13)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
MYRVWLDKDQQUCS-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

255.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 161.6
[M+Na]+ 278.136278 166.7
[M-H]- 254.139784 162.7
[M+NH4]+ 273.180883 186.3
[M+K]+ 294.110218 165.6
[M+H-H2O]+ 238.144320 159.4
[M+HCOO]- 300.145261 178.5
[M+CH3COO]- 314.160911 191.5
[M+Na-2H]- 276.121726 166.0
[M]+ 255.14651142 161.4
[M]- 255.14760858 161.4
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

patents stripe