CID 71246142

1363381-55-8

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC2CC2(C1)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-7-4-11(7,6-12)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
OUTDFRNFTVGFRQ-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

227.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 154.8
[M+Na]+ 250.10497 163.4
[M+NH4]+ 245.14957 162.5
[M+K]+ 266.07891 162.2
[M-H]- 226.10847 159.2
[M+Na-2H]- 248.09042 158.9
[M]+ 227.11520 158.2
[M]- 227.11630 158.2
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