CID 545738

Octa-1,7-dien-3-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C=CCCCC(C=C)O
InChI
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3-4,8-9H,1-2,5-7H2
InChIKey
PCELKVAQHUEQKH-UHFFFAOYSA-N
Compound name
octa-1,7-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

415
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 129.0
[M+Na]+ 149.09368 135.4
[M-H]- 125.09718 127.7
[M+NH4]+ 144.13828 150.6
[M+K]+ 165.06762 133.5
[M+H-H2O]+ 109.10172 124.8
[M+HCOO]- 171.10266 150.3
[M+CH3COO]- 185.11831 171.5
[M+Na-2H]- 147.07913 133.4
[M]+ 126.10391 128.6
[M]- 126.10501 128.6
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