CID 82744

Isopropyl cyanoacrylate

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC(C)OC(=O)C(=C)C#N
InChI
InChI=1S/C7H9NO2/c1-5(2)10-7(9)6(3)4-8/h5H,3H2,1-2H3
InChIKey
SQGOMFWCSGKGEP-UHFFFAOYSA-N
Compound name
propan-2-yl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

873
Patents

139.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 129.0
[M+Na]+ 162.05254 137.7
[M-H]- 138.05604 130.1
[M+NH4]+ 157.09714 148.6
[M+K]+ 178.02648 137.9
[M+H-H2O]+ 122.06058 118.0
[M+HCOO]- 184.06152 147.3
[M+CH3COO]- 198.07717 188.3
[M+Na-2H]- 160.03799 132.1
[M]+ 139.06277 125.2
[M]- 139.06387 125.2
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