CID 3049494

N-pentylheptanamide

Structural Information

Molecular Formula
C12H25NO
SMILES
CCCCCCC(=O)NCCCCC
InChI
InChI=1S/C12H25NO/c1-3-5-7-8-10-12(14)13-11-9-6-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKey
GUDYPJBECYDZAH-UHFFFAOYSA-N
Compound name
N-pentylheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

199.19362 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.200896 152.9
[M+Na]+ 222.182838 156.9
[M-H]- 198.186344 152.2
[M+NH4]+ 217.227443 172.1
[M+K]+ 238.156778 155.4
[M+H-H2O]+ 182.190880 147.0
[M+HCOO]- 244.191821 175.2
[M+CH3COO]- 258.207471 191.4
[M+Na-2H]- 220.168286 155.7
[M]+ 199.19307142 155.7
[M]- 199.19416858 155.7
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

patents stripe