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

287
Patents

227.11575 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.123026 179.8
[M+Na]+ 250.104968 180.4
[M-H]- 226.108474 181.0
[M+NH4]+ 245.149573 182.8
[M+K]+ 266.078908 187.3
[M+H-H2O]+ 210.113010 165.9
[M+HCOO]- 272.113951 188.9
[M+CH3COO]- 286.129601 214.7
[M+Na-2H]- 248.090416 183.0
[M]+ 227.11520142 204.3
[M]- 227.11629858 204.3
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