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
3
Annotation Hits

0
References

1652
Patents

139.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 128.1
[M+Na]+ 162.052538 137.0
[M-H]- 138.056044 129.1
[M+NH4]+ 157.097143 147.7
[M+K]+ 178.026478 136.7
[M+H-H2O]+ 122.060580 117.0
[M+HCOO]- 184.061521 147.3
[M+CH3COO]- 198.077171 187.5
[M+Na-2H]- 160.037986 132.3
[M]+ 139.06277142 124.8
[M]- 139.06386858 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