CID 12085063

303752-38-7

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-9(2,3)16-8(15)12-11-4-10(5-11,6-11)7(13)14/h4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
CKXLBAVWWJDBHS-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
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 174.1
[M+Na]+ 250.10497 168.4
[M+NH4]+ 245.14957 171.6
[M+K]+ 266.07891 167.4
[M-H]- 226.10847 164.8
[M+Na-2H]- 248.09042 167.6
[M]+ 227.11520 167.8
[M]- 227.11630 167.8
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