CID 6436377

10574-01-3

Structural Information

Molecular Formula

C₂₁H₄₁NO

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NC(C)C

InChI

InChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3,(H,22,23)/b12-11-

InChIKey

FJMNGVBYKSEJNP-QXMHVHEDSA-N

Compound name

(Z)-N-propan-2-yloctadec-9-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 39
Patents: 323.31882 Da
Monoisotopic Mass: 7.8
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]+	324.32610	192.9
[M+Na]+	346.30804	193.3
[M-H]-	322.31154	190.5
[M+NH4]+	341.35264	207.0
[M+K]+	362.28198	189.2
[M+H-H2O]+	306.31608	185.4
[M+HCOO]-	368.31702	211.4
[M+CH3COO]-	382.33267	217.6
[M+Na-2H]-	344.29349	189.6
[M]+	323.31827	197.6
[M]-	323.31937	197.6

Literature stripe

literature stripe

Patent stripe

patents stripe