CID 5365650

23578-51-0

Structural Information

Molecular Formula
C8H14O
SMILES
C=CCCC/C=C/CO
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2,6-7,9H,1,3-5,8H2/b7-6+
InChIKey
YHYGSIBXYYKYFB-VOTSOKGWSA-N
Compound name
(2E)-octa-2,7-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

957
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 128.7
[M+Na]+ 149.09368 135.4
[M-H]- 125.09718 127.4
[M+NH4]+ 144.13828 150.5
[M+K]+ 165.06762 133.1
[M+H-H2O]+ 109.10172 124.5
[M+HCOO]- 171.10266 151.1
[M+CH3COO]- 185.11831 170.1
[M+Na-2H]- 147.07913 134.4
[M]+ 126.10391 128.9
[M]- 126.10501 128.9
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

patents stripe