CID 57227352

220598-45-8

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC2(CC1C2)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-6-11(8(13)14)4-7(12)5-11/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
YAUYMBIICLFXOX-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
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 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

No literature data available for this compound.

Patent stripe

patents stripe