CID 12085062

676371-64-5

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)C(=O)OC
InChI
InChI=1S/C12H19NO4/c1-10(2,3)17-9(15)13-12-5-11(6-12,7-12)8(14)16-4/h5-7H2,1-4H3,(H,13,15)
InChIKey
KDOXMPLTEPMVQD-UHFFFAOYSA-N
Compound name
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

241.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 176.2
[M+Na]+ 264.12063 170.7
[M+NH4]+ 259.16523 173.9
[M+K]+ 280.09457 169.4
[M-H]- 240.12413 167.3
[M+Na-2H]- 262.10608 170.0
[M]+ 241.13086 170.2
[M]- 241.13196 170.2
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