CID 97291630

1165450-63-4

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(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)/t7-,11-/m0/s1
InChIKey
OUTDFRNFTVGFRQ-CPCISQLKSA-N
Compound name
(1R,5R)-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

18
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 154.9
[M+Na]+ 250.10497 163.9
[M-H]- 226.10847 157.5
[M+NH4]+ 245.14957 171.0
[M+K]+ 266.07891 161.7
[M+H-H2O]+ 210.11301 151.2
[M+HCOO]- 272.11395 170.8
[M+CH3COO]- 286.12960 188.5
[M+Na-2H]- 248.09042 158.4
[M]+ 227.11520 159.2
[M]- 227.11630 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe