CID 45026982

1822426-59-4

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC(C1CC2CC2C1)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-5-7-4-8(7)6-9/h7-10H,4-6H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
LBQMSXCPACQAHQ-UHFFFAOYSA-N
Compound name
2-(3-bicyclo[3.1.0]hexanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 158.8
[M+Na]+ 278.13628 165.5
[M+NH4]+ 273.18088 165.0
[M+K]+ 294.11022 166.6
[M-H]- 254.13978 163.8
[M+Na-2H]- 276.12173 160.9
[M]+ 255.14651 161.7
[M]- 255.14761 161.7
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

patents stripe