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

320
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 179.8
[M+Na]+ 250.10497 180.4
[M-H]- 226.10847 181.0
[M+NH4]+ 245.14957 182.8
[M+K]+ 266.07891 187.3
[M+H-H2O]+ 210.11301 165.9
[M+HCOO]- 272.11395 188.9
[M+CH3COO]- 286.12960 214.7
[M+Na-2H]- 248.09042 183.0
[M]+ 227.11520 204.3
[M]- 227.11630 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