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

39
Patents

199.19362 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.20090 152.9
[M+Na]+ 222.18284 156.9
[M-H]- 198.18634 152.2
[M+NH4]+ 217.22744 172.1
[M+K]+ 238.15678 155.4
[M+H-H2O]+ 182.19088 147.0
[M+HCOO]- 244.19182 175.2
[M+CH3COO]- 258.20747 191.4
[M+Na-2H]- 220.16829 155.7
[M]+ 199.19307 155.7
[M]- 199.19417 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