CID 70208

N-methylolmethacrylamide

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC(=C)C(=O)NCO
InChI
InChI=1S/C5H9NO2/c1-4(2)5(8)6-3-7/h7H,1,3H2,2H3,(H,6,8)
InChIKey
DNTMQTKDNSEIFO-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

48876
Patents

115.06333 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.3
[M+Na]+ 138.05255 129.8
[M-H]- 114.05605 122.5
[M+NH4]+ 133.09715 144.8
[M+K]+ 154.02649 129.5
[M+H-H2O]+ 98.060590 118.9
[M+HCOO]- 160.06153 145.8
[M+CH3COO]- 174.07718 169.4
[M+Na-2H]- 136.03800 128.0
[M]+ 115.06278 121.5
[M]- 115.06388 121.5
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