CID 77718677

182292-11-1

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NC(C1CC2CCC1C2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-11(12(16)17)10-7-8-4-5-9(10)6-8/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
OJSPXNIKKISMPL-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 167.0
[M+Na]+ 292.15194 170.2
[M-H]- 268.15544 167.8
[M+NH4]+ 287.19654 187.3
[M+K]+ 308.12588 169.4
[M+H-H2O]+ 252.15998 163.2
[M+HCOO]- 314.16092 182.6
[M+CH3COO]- 328.17657 197.4
[M+Na-2H]- 290.13739 166.3
[M]+ 269.16217 166.1
[M]- 269.16327 166.1
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