CID 58976

N-(3,4-dimethylbenzyl)nonanamide

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCCCCCCC(=O)NCC1=CC(=C(C=C1)C)C
InChI
InChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-18(20)19-14-17-12-11-15(2)16(3)13-17/h11-13H,4-10,14H2,1-3H3,(H,19,20)
InChIKey
YQUQGJXRTRZSHB-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethylphenyl)methyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 171.3
[M+Na]+ 298.214118 176.0
[M-H]- 274.217624 174.0
[M+NH4]+ 293.258723 187.8
[M+K]+ 314.188058 172.2
[M+H-H2O]+ 258.222160 164.1
[M+HCOO]- 320.223101 193.3
[M+CH3COO]- 334.238751 207.0
[M+Na-2H]- 296.199566 172.3
[M]+ 275.22435142 174.6
[M]- 275.22544858 174.6
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.