CID 5366235

2-hepten-4-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CCCC(/C=C/C)O
InChI
InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,5,7-8H,4,6H2,1-2H3/b5-3+
InChIKey
DODCYMXUZOEOQF-HWKANZROSA-N
Compound name
(E)-hept-2-en-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

114.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 125.8
[M+Na]+ 137.09368 135.9
[M+NH4]+ 132.13828 133.7
[M+K]+ 153.06762 130.2
[M-H]- 113.09718 125.0
[M+Na-2H]- 135.07913 129.2
[M]+ 114.10391 126.7
[M]- 114.10501 126.7
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