CID 12127697

127926-24-3

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC2CC1(C2)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-6-7-4-11(12,5-7)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
ZCFGFDBKCBPYHR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

227.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 164.5
[M+Na]+ 250.10497 169.2
[M-H]- 226.10847 163.0
[M+NH4]+ 245.14957 183.1
[M+K]+ 266.07891 171.5
[M+H-H2O]+ 210.11301 158.3
[M+HCOO]- 272.11395 176.6
[M+CH3COO]- 286.12960 191.1
[M+Na-2H]- 248.09042 168.8
[M]+ 227.11520 178.5
[M]- 227.11630 178.5
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