CID 6436486

Trans-2-hexenal dimethyl acetal

Structural Information

Molecular Formula
C8H16O2
SMILES
CCC/C=C/C(OC)OC
InChI
InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+
InChIKey
OSVRJMZINDGZFB-VOTSOKGWSA-N
Compound name
(E)-1,1-dimethoxyhex-2-ene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

72
Patents

144.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 133.0
[M+Na]+ 167.104258 139.6
[M-H]- 143.107764 133.2
[M+NH4]+ 162.148863 154.8
[M+K]+ 183.078198 139.8
[M+H-H2O]+ 127.112300 128.3
[M+HCOO]- 189.113241 156.0
[M+CH3COO]- 203.128891 176.5
[M+Na-2H]- 165.089706 137.9
[M]+ 144.11449142 136.6
[M]- 144.11558858 136.6
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