CID 3017533

Butyl (1-oxoallyl)carbamate

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCCCOC(=O)NC(=O)C=C
InChI
InChI=1S/C8H13NO3/c1-3-5-6-12-8(11)9-7(10)4-2/h4H,2-3,5-6H2,1H3,(H,9,10,11)
InChIKey
IUGOJGRUYWFWTO-UHFFFAOYSA-N
Compound name
butyl N-prop-2-enoylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

171.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 137.9
[M+Na]+ 194.078758 144.0
[M-H]- 170.082264 138.1
[M+NH4]+ 189.123363 158.0
[M+K]+ 210.052698 143.8
[M+H-H2O]+ 154.086800 132.6
[M+HCOO]- 216.087741 161.5
[M+CH3COO]- 230.103391 180.9
[M+Na-2H]- 192.064206 141.6
[M]+ 171.08899142 139.8
[M]- 171.09008858 139.8
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