CID 20836310

(z)-2-(3-hexenyloxy)ethanol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC/C=C\CCOCCO
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-7-10-8-6-9/h3-4,9H,2,5-8H2,1H3/b4-3-
InChIKey
QGOZUGDFQXKWJX-ARJAWSKDSA-N
Compound name
2-[(Z)-hex-3-enoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

144.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 133.4
[M+Na]+ 167.104258 139.7
[M-H]- 143.107764 131.9
[M+NH4]+ 162.148863 154.4
[M+K]+ 183.078198 138.5
[M+H-H2O]+ 127.112300 128.8
[M+HCOO]- 189.113241 155.8
[M+CH3COO]- 203.128891 172.9
[M+Na-2H]- 165.089706 139.0
[M]+ 144.11449142 135.7
[M]- 144.11558858 135.7
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