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

275
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 180.9
[M+Na]+ 264.12063 181.6
[M-H]- 240.12413 183.2
[M+NH4]+ 259.16523 184.1
[M+K]+ 280.09457 189.0
[M+H-H2O]+ 224.12867 167.0
[M+HCOO]- 286.12961 191.0
[M+CH3COO]- 300.14526 218.2
[M+Na-2H]- 262.10608 184.4
[M]+ 241.13086 207.0
[M]- 241.13196 207.0
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