CID 202402

Brn 2985939

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC1=CC(=CC(=C1N(C)C)C)OC(=O)NCO
InChI
InChI=1S/C12H18N2O3/c1-8-5-10(17-12(16)13-7-15)6-9(2)11(8)14(3)4/h5-6,15H,7H2,1-4H3,(H,13,16)
InChIKey
NWENDJCAYLLIGH-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-3,5-dimethylphenyl] N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.2
[M+Na]+ 261.12096 161.1
[M-H]- 237.12446 158.5
[M+NH4]+ 256.16556 171.9
[M+K]+ 277.09490 160.6
[M+H-H2O]+ 221.12900 147.6
[M+HCOO]- 283.12994 178.7
[M+CH3COO]- 297.14559 199.6
[M+Na-2H]- 259.10641 156.8
[M]+ 238.13119 157.0
[M]- 238.13229 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.