CID 252522

N-butylhexanamide

Structural Information

Molecular Formula
C10H21NO
SMILES
CCCCCC(=O)NCCCC
InChI
InChI=1S/C10H21NO/c1-3-5-7-8-10(12)11-9-6-4-2/h3-9H2,1-2H3,(H,11,12)
InChIKey
ZEBBGLVPWGCPJN-UHFFFAOYSA-N
Compound name
N-butylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

171.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 143.8
[M+Na]+ 194.151528 148.6
[M-H]- 170.155034 143.4
[M+NH4]+ 189.196133 164.1
[M+K]+ 210.125468 147.6
[M+H-H2O]+ 154.159570 138.3
[M+HCOO]- 216.160511 166.7
[M+CH3COO]- 230.176161 185.3
[M+Na-2H]- 192.136976 147.6
[M]+ 171.16176142 145.8
[M]- 171.16285858 145.8
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