CID 50986400

1258652-53-7

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC(C2C1C2)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-7(9(13)14)6-4-8(6)12/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey
SDTQQTUDFXUEEX-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

227.11575 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 153.9
[M+Na]+ 250.10497 163.1
[M-H]- 226.10847 156.6
[M+NH4]+ 245.14957 168.4
[M+K]+ 266.07891 159.9
[M+H-H2O]+ 210.11301 149.2
[M+HCOO]- 272.11395 170.1
[M+CH3COO]- 286.12960 190.1
[M+Na-2H]- 248.09042 155.6
[M]+ 227.11520 158.1
[M]- 227.11630 158.1
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