CID 5358336

Trans-3-octen-2-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CCCC/C=C/C(C)O
InChI
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3/b7-6+
InChIKey
YJJIVDCKSZMHGZ-VOTSOKGWSA-N
Compound name
(E)-oct-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

365
Patents

128.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 130.9
[M+Na]+ 151.10934 137.1
[M-H]- 127.11284 129.6
[M+NH4]+ 146.15394 152.6
[M+K]+ 167.08328 135.8
[M+H-H2O]+ 111.11738 126.7
[M+HCOO]- 173.11832 152.0
[M+CH3COO]- 187.13397 171.8
[M+Na-2H]- 149.09479 135.2
[M]+ 128.11957 131.0
[M]- 128.12067 131.0
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