CID 119032070

Tert-butyl n-[(1-formylcyclobutyl)methyl]carbamate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)NCC1(CCC1)C=O
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-11(8-13)5-4-6-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKey
IJLNNGPCNJWBMU-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 154.1
[M+Na]+ 236.12571 157.2
[M+NH4]+ 231.17031 157.6
[M+K]+ 252.09965 153.4
[M-H]- 212.12921 150.6
[M+Na-2H]- 234.11116 155.5
[M]+ 213.13594 152.2
[M]- 213.13704 152.2
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

No patent data available for this compound.