CID 543636

Octa-3,5-dien-2-ol

Structural Information

Molecular Formula
C8H14O
SMILES
CCC=CC=CC(C)O
InChI
InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3
InChIKey
RQQKJGCMOJSSOV-UHFFFAOYSA-N
Compound name
octa-3,5-dien-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

126.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 129.4
[M+Na]+ 149.09368 136.0
[M-H]- 125.09718 128.2
[M+NH4]+ 144.13828 151.2
[M+K]+ 165.06762 134.1
[M+H-H2O]+ 109.10172 125.3
[M+HCOO]- 171.10266 150.8
[M+CH3COO]- 185.11831 170.2
[M+Na-2H]- 147.07913 133.8
[M]+ 126.10391 128.8
[M]- 126.10501 128.8
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