CID 101072

59512-17-3

Structural Information

Molecular Formula
C13H19NO
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)N
InChI
InChI=1S/C13H19NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H2,14,15)
InChIKey
REUQKCDCQVNKLW-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpropyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

159
Patents

205.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 149.7
[M+Na]+ 228.135888 155.0
[M-H]- 204.139394 152.6
[M+NH4]+ 223.180493 168.1
[M+K]+ 244.109828 153.1
[M+H-H2O]+ 188.143930 143.4
[M+HCOO]- 250.144871 170.7
[M+CH3COO]- 264.160521 192.5
[M+Na-2H]- 226.121336 150.5
[M]+ 205.14612142 148.5
[M]- 205.14721858 148.5
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