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

19
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 156.6
[M+Na]+ 278.13628 163.0
[M-H]- 254.13978 160.1
[M+NH4]+ 273.18088 170.7
[M+K]+ 294.11022 160.1
[M+H-H2O]+ 238.14432 152.3
[M+HCOO]- 300.14526 173.6
[M+CH3COO]- 314.16091 197.8
[M+Na-2H]- 276.12173 157.9
[M]+ 255.14651 159.5
[M]- 255.14761 159.5
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