CID 22956

Thompson-hayward t-h 255-i

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC1=CC(=CC(=C1CN(C)C)C)OC(=O)NC
InChI
InChI=1S/C13H20N2O2/c1-9-6-11(17-13(16)14-3)7-10(2)12(9)8-15(4)5/h6-7H,8H2,1-5H3,(H,14,16)
InChIKey
PBJQYLSKNASHPU-UHFFFAOYSA-N
Compound name
[4-[(dimethylamino)methyl]-3,5-dimethylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 155.4
[M+Na]+ 259.14170 162.5
[M-H]- 235.14520 161.0
[M+NH4]+ 254.18630 174.1
[M+K]+ 275.11564 162.0
[M+H-H2O]+ 219.14974 148.6
[M+HCOO]- 281.15068 180.9
[M+CH3COO]- 295.16633 203.0
[M+Na-2H]- 257.12715 157.9
[M]+ 236.15193 159.1
[M]- 236.15303 159.1
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

patents stripe