CID 81081

6606-66-2

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCCOC(=O)C(=C)C#N
InChI
InChI=1S/C7H9NO2/c1-3-4-10-7(9)6(2)5-8/h2-4H2,1H3
InChIKey
ZTYMNUBYYQNBFP-UHFFFAOYSA-N
Compound name
propyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1671
Patents

139.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 128.1
[M+Na]+ 162.05254 137.0
[M-H]- 138.05604 129.1
[M+NH4]+ 157.09714 147.7
[M+K]+ 178.02648 136.7
[M+H-H2O]+ 122.06058 117.0
[M+HCOO]- 184.06152 147.3
[M+CH3COO]- 198.07717 187.5
[M+Na-2H]- 160.03799 132.3
[M]+ 139.06277 124.8
[M]- 139.06387 124.8
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