CID 32740

Allyl n-methylolcarbamate

Structural Information

Molecular Formula
C5H9NO3
SMILES
C=CCOC(=O)NCO
InChI
InChI=1S/C5H9NO3/c1-2-3-9-5(8)6-4-7/h2,7H,1,3-4H2,(H,6,8)
InChIKey
GOPSAMYJSPYXPL-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1323
Patents

131.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 125.6
[M+Na]+ 154.04746 132.4
[M-H]- 130.05096 124.7
[M+NH4]+ 149.09206 146.6
[M+K]+ 170.02140 132.1
[M+H-H2O]+ 114.05550 120.9
[M+HCOO]- 176.05644 149.4
[M+CH3COO]- 190.07209 169.9
[M+Na-2H]- 152.03291 131.6
[M]+ 131.05769 125.9
[M]- 131.05879 125.9
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