CID 412529

N-(2-methylphenyl)-2-(propylamino)acetamide hydrochloride

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCCNCC(=O)NC1=CC=CC=C1C
InChI
InChI=1S/C12H18N2O/c1-3-8-13-9-12(15)14-11-7-5-4-6-10(11)2/h4-7,13H,3,8-9H2,1-2H3,(H,14,15)
InChIKey
PRKBTCCRGMGZOF-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-(propylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

206.1419 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.2
[M+Na]+ 229.13112 153.6
[M-H]- 205.13462 151.5
[M+NH4]+ 224.17572 166.7
[M+K]+ 245.10506 151.2
[M+H-H2O]+ 189.13916 141.4
[M+HCOO]- 251.14010 173.2
[M+CH3COO]- 265.15575 192.6
[M+Na-2H]- 227.11657 153.4
[M]+ 206.14135 148.0
[M]- 206.14245 148.0
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.