CID 49778070

Compound np-019496

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCC/C=C\C(C#CC#CC(CC)O)O
InChI
InChI=1S/C17H26O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h10,14,16-19H,3-9H2,1-2H3/b14-10-
InChIKey
CGMZKZLQZWZKJO-UVTDQMKNSA-N
Compound name
(Z)-heptadec-9-en-4,6-diyne-3,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.19327 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 169.7
[M+Na]+ 285.18249 176.6
[M-H]- 261.18599 168.2
[M+NH4]+ 280.22709 180.1
[M+K]+ 301.15643 172.0
[M+H-H2O]+ 245.19053 156.2
[M+HCOO]- 307.19147 175.2
[M+CH3COO]- 321.20712 216.2
[M+Na-2H]- 283.16794 167.0
[M]+ 262.19272 162.2
[M]- 262.19382 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.