CID 67508029

Tert-butyl n-(1-acetylcyclobutyl)carbamate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(=O)C1(CCC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO3/c1-8(13)11(6-5-7-11)12-9(14)15-10(2,3)4/h5-7H2,1-4H3,(H,12,14)
InChIKey
GCYPJVATZCNTQC-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-acetylcyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

213.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 152.9
[M+Na]+ 236.12571 156.5
[M-H]- 212.12921 156.1
[M+NH4]+ 231.17031 166.6
[M+K]+ 252.09965 159.9
[M+H-H2O]+ 196.13375 143.5
[M+HCOO]- 258.13469 171.7
[M+CH3COO]- 272.15034 191.9
[M+Na-2H]- 234.11116 156.4
[M]+ 213.13594 162.0
[M]- 213.13704 162.0
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