CID 57495095

Butanamide, 2-ethyl-n-methyl-n-(3-methylphenyl)-

Structural Information

Molecular Formula
C14H21NO
SMILES
CCC(CC)C(=O)N(C)C1=CC=CC(=C1)C
InChI
InChI=1S/C14H21NO/c1-5-12(6-2)14(16)15(4)13-9-7-8-11(3)10-13/h7-10,12H,5-6H2,1-4H3
InChIKey
XATDMWWMSDQXFD-UHFFFAOYSA-N
Compound name
2-ethyl-N-methyl-N-(3-methylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

325
Patents

219.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 153.2
[M+Na]+ 242.151528 158.6
[M-H]- 218.155034 157.9
[M+NH4]+ 237.196133 172.2
[M+K]+ 258.125468 157.8
[M+H-H2O]+ 202.159570 146.6
[M+HCOO]- 264.160511 176.1
[M+CH3COO]- 278.176161 198.1
[M+Na-2H]- 240.136976 155.1
[M]+ 219.16176142 155.3
[M]- 219.16285858 155.3
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