CID 78780

5100-03-8

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCCCOC1=C(C=C(C=C1)CC(=O)N)C
InChI
InChI=1S/C13H19NO2/c1-3-4-7-16-12-6-5-11(8-10(12)2)9-13(14)15/h5-6,8H,3-4,7,9H2,1-2H3,(H2,14,15)
InChIKey
RTARBDNVQPTOHY-UHFFFAOYSA-N
Compound name
2-(4-butoxy-3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.8
[M+Na]+ 244.13081 158.5
[M-H]- 220.13431 154.9
[M+NH4]+ 239.17541 170.0
[M+K]+ 260.10475 156.2
[M+H-H2O]+ 204.13885 145.3
[M+HCOO]- 266.13979 175.1
[M+CH3COO]- 280.15544 193.9
[M+Na-2H]- 242.11626 154.4
[M]+ 221.14104 153.7
[M]- 221.14214 153.7
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

No patent data available for this compound.