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]+ 276.23218 171.3
[M+Na]+ 298.21412 176.0
[M-H]- 274.21762 174.0
[M+NH4]+ 293.25872 187.8
[M+K]+ 314.18806 172.2
[M+H-H2O]+ 258.22216 164.1
[M+HCOO]- 320.22310 193.3
[M+CH3COO]- 334.23875 207.0
[M+Na-2H]- 296.19957 172.3
[M]+ 275.22435 174.6
[M]- 275.22545 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.