CID 5352833

(z)-4-hepten-2-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC/C=C\CC(C)O
InChI
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3/b5-4-
InChIKey
KZUFTCBJDQXWOJ-PLNGDYQASA-N
Compound name
(Z)-hept-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1139
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 126.2
[M+Na]+ 137.09368 132.8
[M-H]- 113.09718 125.1
[M+NH4]+ 132.13828 148.5
[M+K]+ 153.06762 131.8
[M+H-H2O]+ 97.101720 122.2
[M+HCOO]- 159.10266 147.7
[M+CH3COO]- 173.11831 168.8
[M+Na-2H]- 135.07913 131.1
[M]+ 114.10391 126.0
[M]- 114.10501 126.0
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