CID 44968

Carbamic acid, allyl-, m-(dimethylamino)phenyl ester, hydrochloride

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]+ 221.12847 150.3
[M+Na]+ 243.11041 156.2
[M-H]- 219.11391 155.2
[M+NH4]+ 238.15501 168.8
[M+K]+ 259.08435 155.2
[M+H-H2O]+ 203.11845 143.2
[M+HCOO]- 265.11939 176.3
[M+CH3COO]- 279.13504 196.6
[M+Na-2H]- 241.09586 154.8
[M]+ 220.12064 152.1
[M]- 220.12174 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.