CID 15577688

40594-97-6

Structural Information

Molecular Formula
C6H7NO2
SMILES
CCOC(=O)/C=C\C#N
InChI
InChI=1S/C6H7NO2/c1-2-9-6(8)4-3-5-7/h3-4H,2H2,1H3/b4-3-
InChIKey
AMQZZSZCLSVKLO-ARJAWSKDSA-N
Compound name
ethyl (Z)-3-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

495
Patents

125.047676 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 123.2
[M+Na]+ 148.03689 132.7
[M-H]- 124.04040 124.3
[M+NH4]+ 143.08150 143.4
[M+K]+ 164.01083 132.3
[M+H-H2O]+ 108.04494 112.3
[M+HCOO]- 170.04588 143.6
[M+CH3COO]- 184.06153 183.4
[M+Na-2H]- 146.02234 129.1
[M]+ 125.04713 120.1
[M]- 125.04822 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe