CID 5318042

Trans-2-hexen-1-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CCC/C=C/CO
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
InChIKey
ZCHHRLHTBGRGOT-SNAWJCMRSA-N
Compound name
(E)-hex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

54
References

9804
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 121.1
[M+Na]+ 123.07803 128.3
[M-H]- 99.081534 120.1
[M+NH4]+ 118.12263 144.0
[M+K]+ 139.05197 127.2
[M+H-H2O]+ 83.086070 117.2
[M+HCOO]- 145.08701 143.9
[M+CH3COO]- 159.10266 164.9
[M+Na-2H]- 121.06348 127.9
[M]+ 100.08826 121.2
[M]- 100.08936 121.2
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