CID 96581901

2173996-97-7

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1C2)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-4-11(8(13)14)6-7(11)12/h7H,4-6H2,1-3H3,(H,13,14)/t7-,11-/m0/s1
InChIKey
VWXMXVVMJQHITP-CPCISQLKSA-N
Compound name
(1S,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.