CID 2747581

143360-00-3

Structural Information

Molecular Formula
C13H19NO
SMILES
CCCCC1=CC(=C(C=C1)NC(=O)C)C
InChI
InChI=1S/C13H19NO/c1-4-5-6-12-7-8-13(10(2)9-12)14-11(3)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKey
ZFVMECVBUGMWIX-UHFFFAOYSA-N
Compound name
N-(4-butyl-2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

205.14667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.2
[M+Na]+ 228.135888 155.0
[M-H]- 204.139394 151.9
[M+NH4]+ 223.180493 167.5
[M+K]+ 244.109828 152.5
[M+H-H2O]+ 188.143930 142.0
[M+HCOO]- 250.144871 171.9
[M+CH3COO]- 264.160521 191.9
[M+Na-2H]- 226.121336 151.9
[M]+ 205.14612142 149.6
[M]- 205.14721858 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe