CID 44963

Carbamic acid, dimethyl-, 2-(dimethylamino)-p-tolyl ester, hydrochloride

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC1=CC(=C(C=C1)OC(=O)N(C)C)N(C)C
InChI
InChI=1S/C12H18N2O2/c1-9-6-7-11(10(8-9)13(2)3)16-12(15)14(4)5/h6-8H,1-5H3
InChIKey
FUYQHDCGNLMNFT-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 150.8
[M+Na]+ 245.12605 157.5
[M-H]- 221.12955 157.6
[M+NH4]+ 240.17065 170.3
[M+K]+ 261.09999 158.7
[M+H-H2O]+ 205.13409 143.8
[M+HCOO]- 267.13503 177.1
[M+CH3COO]- 281.15068 202.2
[M+Na-2H]- 243.11150 153.8
[M]+ 222.13628 155.0
[M]- 222.13738 155.0
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.