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

66
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 149.8
[M+Na]+ 250.10497 150.5
[M+NH4]+ 245.14957 153.9
[M+K]+ 266.07891 152.1
[M-H]- 226.10847 141.4
[M+Na-2H]- 248.09042 144.3
[M]+ 227.11520 146.0
[M]- 227.11630 146.0
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