CID 3040309

52030-08-7

Structural Information

Molecular Formula
C17H35NO
SMILES
CCCC(CCC)C(C)NC(=O)C(CCC)CCC
InChI
InChI=1S/C17H35NO/c1-6-10-15(11-7-2)14(5)18-17(19)16(12-8-3)13-9-4/h14-16H,6-13H2,1-5H3,(H,18,19)
InChIKey
SYFWIANMZJPHOU-UHFFFAOYSA-N
Compound name
2-propyl-N-(3-propylhexan-2-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.27185 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.27913 177.3
[M+Na]+ 292.26107 178.6
[M-H]- 268.26457 175.9
[M+NH4]+ 287.30567 193.5
[M+K]+ 308.23501 177.2
[M+H-H2O]+ 252.26911 170.8
[M+HCOO]- 314.27005 195.0
[M+CH3COO]- 328.28570 208.9
[M+Na-2H]- 290.24652 173.6
[M]+ 269.27130 180.0
[M]- 269.27240 180.0
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.