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]+ 289.227426 175.6
[M+Na]+ 311.209368 181.5
[M-H]- 287.212874 174.9
[M+NH4]+ 306.253973 185.4
[M+K]+ 327.183308 177.1
[M+H-H2O]+ 271.217410 160.9
[M+HCOO]- 333.218351 184.0
[M+CH3COO]- 347.234001 224.6
[M+Na-2H]- 309.194816 173.3
[M]+ 288.21960142 167.8
[M]- 288.22069858 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.