CID 534620

2-octylcyclopropene-1-heptanol

Structural Information

Molecular Formula
C18H34O
SMILES
CCCCCCCCC1=C(C1)CCCCCCCO
InChI
InChI=1S/C18H34O/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19/h19H,2-16H2,1H3
InChIKey
MWSVYTXIAIUBMP-UHFFFAOYSA-N
Compound name
7-(2-octylcyclopropen-1-yl)heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.26096 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.268236 167.7
[M+Na]+ 289.250178 173.5
[M-H]- 265.253684 169.6
[M+NH4]+ 284.294783 179.6
[M+K]+ 305.224118 168.4
[M+H-H2O]+ 249.258220 160.6
[M+HCOO]- 311.259161 188.4
[M+CH3COO]- 325.274811 204.2
[M+Na-2H]- 287.235626 169.3
[M]+ 266.26041142 175.9
[M]- 266.26150858 175.9
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

patents stripe