CID 44150680

Propanamide, n-ethyl-n-(3-methylphenyl)-

Structural Information

Molecular Formula
C12H17NO
SMILES
CCC(=O)N(CC)C1=CC=CC(=C1)C
InChI
InChI=1S/C12H17NO/c1-4-12(14)13(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey
DSYVYGLBPDTBKH-UHFFFAOYSA-N
Compound name
N-ethyl-N-(3-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

116
Patents

191.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.7
[M+Na]+ 214.120228 150.2
[M-H]- 190.123734 148.8
[M+NH4]+ 209.164833 164.0
[M+K]+ 230.094168 149.4
[M+H-H2O]+ 174.128270 137.4
[M+HCOO]- 236.129211 168.3
[M+CH3COO]- 250.144861 191.2
[M+Na-2H]- 212.105676 148.0
[M]+ 191.13046142 145.7
[M]- 191.13155858 145.7
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