CID 36333

N-(2,6-dimethylphenyl)butanamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CCCC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C12H17NO/c1-4-6-11(14)13-12-9(2)7-5-8-10(12)3/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChIKey
RSSCKVILFZASNT-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.5
[M+Na]+ 214.120228 150.8
[M-H]- 190.123734 147.4
[M+NH4]+ 209.164833 163.4
[M+K]+ 230.094168 148.5
[M+H-H2O]+ 174.128270 137.5
[M+HCOO]- 236.129211 167.6
[M+CH3COO]- 250.144861 188.8
[M+Na-2H]- 212.105676 147.8
[M]+ 191.13046142 144.6
[M]- 191.13155858 144.6
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