CID 23087

Enbucrilate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCCCOC(=O)C(=C)C#N
InChI
InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3
InChIKey
JJJFUHOGVZWXNQ-UHFFFAOYSA-N
Compound name
butyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2196
References

13008
Patents

153.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 132.1
[M+Na]+ 176.06820 140.6
[M-H]- 152.07170 133.0
[M+NH4]+ 171.11280 151.2
[M+K]+ 192.04214 140.2
[M+H-H2O]+ 136.07624 120.9
[M+HCOO]- 198.07718 151.0
[M+CH3COO]- 212.09283 190.2
[M+Na-2H]- 174.05365 135.9
[M]+ 153.07843 129.2
[M]- 153.07953 129.2
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.