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 179.6
[M+Na]+ 248.12571 180.7
[M-H]- 224.12921 182.0
[M+NH4]+ 243.17031 183.4
[M+K]+ 264.09965 187.5
[M+H-H2O]+ 208.13375 165.8
[M+HCOO]- 270.13469 189.6
[M+CH3COO]- 284.15034 217.2
[M+Na-2H]- 246.11116 182.8
[M]+ 225.13594 204.7
[M]- 225.13704 204.7
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