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]+ 206.15395 148.7
[M+Na]+ 228.13589 160.7
[M+NH4]+ 223.18049 156.9
[M+K]+ 244.10983 153.6
[M-H]- 204.13939 151.4
[M+Na-2H]- 226.12134 154.8
[M]+ 205.14612 151.1
[M]- 205.14722 151.1
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