CID 69963

5-hexen-1-ol

Structural Information

Molecular Formula
C6H12O
SMILES
C=CCCCCO
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
InChIKey
UIZVMOZAXAMASY-UHFFFAOYSA-N
Compound name
hex-5-en-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

11588
Patents

100.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.9
[M+Na]+ 123.07803 128.0
[M-H]- 99.081534 119.9
[M+NH4]+ 118.12263 143.7
[M+K]+ 139.05197 126.9
[M+H-H2O]+ 83.086070 117.0
[M+HCOO]- 145.08701 143.7
[M+CH3COO]- 159.10266 165.6
[M+Na-2H]- 121.06348 127.6
[M]+ 100.08826 121.1
[M]- 100.08936 121.1
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