CID 44968

Dtxsid80980699

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CN(C)C1=CC(=CC=C1)OC(=O)NCC=C
InChI
InChI=1S/C12H16N2O2/c1-4-8-13-12(15)16-11-7-5-6-10(9-11)14(2)3/h4-7,9H,1,8H2,2-3H3,(H,13,15)
InChIKey
KJMMHFCZIVREJC-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)phenyl] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 150.3
[M+Na]+ 243.110408 156.2
[M-H]- 219.113914 155.2
[M+NH4]+ 238.155013 168.8
[M+K]+ 259.084348 155.2
[M+H-H2O]+ 203.118450 143.2
[M+HCOO]- 265.119391 176.3
[M+CH3COO]- 279.135041 196.6
[M+Na-2H]- 241.095856 154.8
[M]+ 220.12064142 152.1
[M]- 220.12173858 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.