CID 46737261

172927-01-4

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CC2CCC1C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-13(10(15)16)7-8-4-5-9(13)6-8/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
PUXMQXSFGQBMGE-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 161.5
[M+Na]+ 278.13628 166.5
[M-H]- 254.13978 162.7
[M+NH4]+ 273.18088 184.5
[M+K]+ 294.11022 165.3
[M+H-H2O]+ 238.14432 158.7
[M+HCOO]- 300.14526 178.5
[M+CH3COO]- 314.16091 193.0
[M+Na-2H]- 276.12173 164.0
[M]+ 255.14651 161.3
[M]- 255.14761 161.3
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