CID 3016430

Prop-2-ynyl 2-cyanoacrylate

Structural Information

Molecular Formula
C7H5NO2
SMILES
C=C(C#N)C(=O)OCC#C
InChI
InChI=1S/C7H5NO2/c1-3-4-10-7(9)6(2)5-8/h1H,2,4H2
InChIKey
UVTYYXOSOUBFIW-UHFFFAOYSA-N
Compound name
prop-2-ynyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

135.03203 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.039306 141.1
[M+Na]+ 158.021248 150.5
[M-H]- 134.024754 142.9
[M+NH4]+ 153.065853 155.4
[M+K]+ 173.995188 149.0
[M+H-H2O]+ 118.029290 127.5
[M+HCOO]- 180.030231 152.0
[M+CH3COO]- 194.045881 205.9
[M+Na-2H]- 156.006696 142.7
[M]+ 135.03148142 133.8
[M]- 135.03257858 133.8
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