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

1
Patents

266.26096 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.26824 167.7
[M+Na]+ 289.25018 173.5
[M-H]- 265.25368 169.6
[M+NH4]+ 284.29478 179.6
[M+K]+ 305.22412 168.4
[M+H-H2O]+ 249.25822 160.6
[M+HCOO]- 311.25916 188.4
[M+CH3COO]- 325.27481 204.2
[M+Na-2H]- 287.23563 169.3
[M]+ 266.26041 175.9
[M]- 266.26151 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