CID 118798188

1638771-06-8

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)C=O
InChI
InChI=1S/C11H17NO3/c1-9(2,3)15-8(14)12-11-4-10(5-11,6-11)7-13/h7H,4-6H2,1-3H3,(H,12,14)
InChIKey
XIUDXZJLBOFVKS-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-formyl-1-bicyclo[1.1.1]pentanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

211.12085 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 167.5
[M+Na]+ 234.11007 162.8
[M+NH4]+ 229.15467 165.8
[M+K]+ 250.08401 160.9
[M-H]- 210.11357 159.2
[M+Na-2H]- 232.09552 162.3
[M]+ 211.12030 161.8
[M]- 211.12140 161.8
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