CID 456793

Isanolic acid h

Structural Information

Molecular Formula
C18H28N2O
SMILES
C=CCCCC#CCC#CCCCCCCCC(=O)NN
InChI
InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h2H,1,3-5,8,11-17,19H2,(H,20,21)
InChIKey
XOZHKOIZFMKCEX-UHFFFAOYSA-N
Compound name
octadec-17-en-9,12-diynehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 175.6
[M+Na]+ 311.20937 181.5
[M-H]- 287.21287 174.9
[M+NH4]+ 306.25397 185.4
[M+K]+ 327.18331 177.1
[M+H-H2O]+ 271.21741 160.9
[M+HCOO]- 333.21835 184.0
[M+CH3COO]- 347.23400 224.6
[M+Na-2H]- 309.19482 173.3
[M]+ 288.21960 167.8
[M]- 288.22070 167.8
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.