CID 118941213

2201551-76-8

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(=O)C12CC(C1)(C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO3/c1-8(14)11-5-12(6-11,7-11)13-9(15)16-10(2,3)4/h5-7H2,1-4H3,(H,13,15)
InChIKey
SJFNZDNTKFCWMP-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

225.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 173.3
[M+Na]+ 248.12571 168.1
[M+NH4]+ 243.17031 171.4
[M+K]+ 264.09965 166.5
[M-H]- 224.12921 164.7
[M+Na-2H]- 246.11116 167.4
[M]+ 225.13594 167.4
[M]- 225.13704 167.4
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