CID 3019444

Zwbbbgyighzais-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₉H₃₉N₃

SMILES

CCCCCCCCC=CCCCCCCCCN=C(N)N

InChI

InChI=1S/C19H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h9-10H,2-8,11-18H2,1H3,(H4,20,21,22)

InChIKey

PKVHBAHYYYHPHQ-UHFFFAOYSA-N

Compound name

2-octadec-9-enylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 309.3144 Da
Monoisotopic Mass: 6.6
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]+	310.321676	186.1
[M+Na]+	332.303618	186.2
[M-H]-	308.307124	184.3
[M+NH4]+	327.348223	200.2
[M+K]+	348.277558	182.1
[M+H-H2O]+	292.311660	177.7
[M+HCOO]-	354.312601	208.2
[M+CH3COO]-	368.328251	220.3
[M+Na-2H]-	330.289066	184.1
[M]+	309.31385142	187.5
[M]-	309.31494858	187.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe