CID 88612

Diacrylamide

Structural Information

Molecular Formula
C6H7NO2
SMILES
C=CC(=O)NC(=O)C=C
InChI
InChI=1S/C6H7NO2/c1-3-5(8)7-6(9)4-2/h3-4H,1-2H2,(H,7,8,9)
InChIKey
CHDKQNHKDMEASZ-UHFFFAOYSA-N
Compound name
N-prop-2-enoylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

234
References

35004
Patents

125.047676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 124.0
[M+Na]+ 148.03689 131.2
[M-H]- 124.04040 124.6
[M+NH4]+ 143.08150 145.8
[M+K]+ 164.01083 130.4
[M+H-H2O]+ 108.04494 119.4
[M+HCOO]- 170.04588 148.1
[M+CH3COO]- 184.06153 172.5
[M+Na-2H]- 146.02234 128.8
[M]+ 125.04713 123.1
[M]- 125.04822 123.1
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