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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.159756	155.4
[M+Na]+	259.141698	162.5
[M-H]-	235.145204	161.0
[M+NH4]+	254.186303	174.1
[M+K]+	275.115638	162.0
[M+H-H2O]+	219.149740	148.6
[M+HCOO]-	281.150681	180.9
[M+CH3COO]-	295.166331	203.0
[M+Na-2H]-	257.127146	157.9
[M]+	236.15193142	159.1
[M]-	236.15302858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe