CID 3041945

4-propylheptanamide

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CCCC(CCC)CCC(=O)N

InChI

InChI=1S/C10H21NO/c1-3-5-9(6-4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12)

InChIKey

HCMKEJFDFDFAHN-UHFFFAOYSA-N

Compound name

4-propylheptanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 171.16231 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.16959	144.7
[M+Na]+	194.15153	149.2
[M-H]-	170.15503	143.8
[M+NH4]+	189.19613	164.5
[M+K]+	210.12547	148.3
[M+H-H2O]+	154.15957	139.2
[M+HCOO]-	216.16051	166.0
[M+CH3COO]-	230.17616	186.2
[M+Na-2H]-	192.13698	146.1
[M]+	171.16176	145.0
[M]-	171.16286	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe