CID 5463946

2-ethylidenehexanal

Structural Information

Molecular Formula
C8H14O
SMILES
CCCC/C(=C\C)/C=O
InChI
InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+
InChIKey
RAPHJZMCZKGDSB-XBXARRHUSA-N
Compound name
(2E)-2-ethylidenehexanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

120
Patents

126.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 128.2
[M+Na]+ 149.09368 135.1
[M-H]- 125.09718 128.4
[M+NH4]+ 144.13828 150.6
[M+K]+ 165.06762 134.2
[M+H-H2O]+ 109.10172 123.8
[M+HCOO]- 171.10266 151.0
[M+CH3COO]- 185.11831 173.6
[M+Na-2H]- 147.07913 133.2
[M]+ 126.10391 129.6
[M]- 126.10501 129.6
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