CID 4276460

N-ethyl-ortho-isobutyrotoluidide

Structural Information

Molecular Formula
C13H19NO
SMILES
CCN(C1=CC=CC=C1C)C(=O)C(C)C
InChI
InChI=1S/C13H19NO/c1-5-14(13(15)10(2)3)12-9-7-6-8-11(12)4/h6-10H,5H2,1-4H3
InChIKey
ILCXMEURTBINDK-UHFFFAOYSA-N
Compound name
N-ethyl-2-methyl-N-(2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.5
[M+Na]+ 228.13589 154.3
[M-H]- 204.13939 153.4
[M+NH4]+ 223.18049 168.0
[M+K]+ 244.10983 153.7
[M+H-H2O]+ 188.14393 142.0
[M+HCOO]- 250.14487 171.7
[M+CH3COO]- 264.16052 195.1
[M+Na-2H]- 226.12134 150.9
[M]+ 205.14612 150.1
[M]- 205.14722 150.1
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

No patent data available for this compound.