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

120
Patents

255.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 161.6
[M+Na]+ 278.13628 166.7
[M-H]- 254.13978 162.7
[M+NH4]+ 273.18088 186.3
[M+K]+ 294.11022 165.6
[M+H-H2O]+ 238.14432 159.4
[M+HCOO]- 300.14526 178.5
[M+CH3COO]- 314.16091 191.5
[M+Na-2H]- 276.12173 166.0
[M]+ 255.14651 161.4
[M]- 255.14761 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