CID 16454

Allyl carbamate

Structural Information

Molecular Formula
C4H7NO2
SMILES
C=CCOC(=O)N
InChI
InChI=1S/C4H7NO2/c1-2-3-7-4(5)6/h2H,1,3H2,(H2,5,6)
InChIKey
OCAAZRFBJBEVPS-UHFFFAOYSA-N
Compound name
prop-2-enyl carbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

19622
Patents

101.047676 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 117.8
[M+Na]+ 124.03689 125.4
[M-H]- 100.04040 118.0
[M+NH4]+ 119.08150 140.5
[M+K]+ 140.01083 125.5
[M+H-H2O]+ 84.044936 113.3
[M+HCOO]- 146.04588 142.5
[M+CH3COO]- 160.06153 167.4
[M+Na-2H]- 122.02234 123.8
[M]+ 101.04713 117.2
[M]- 101.04822 117.2
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