CID 83823596

1056020-87-1

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1C2CC(C2)C1C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-4-6(5-7)8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey
RAOHNBRXEIPXBB-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

227.11575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 148.6
[M+Na]+ 250.10497 149.7
[M+NH4]+ 245.14957 151.3
[M+K]+ 266.07891 153.1
[M-H]- 226.10847 140.4
[M+Na-2H]- 248.09042 141.5
[M]+ 227.11520 144.7
[M]- 227.11630 144.7
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