CID 14400165

2,7-octadienal, 2-methyl-6-methylene-, (e)-

Structural Information

Molecular Formula
C10H14O
SMILES
C/C(=C\CCC(=C)C=C)/C=O
InChI
InChI=1S/C10H14O/c1-4-9(2)6-5-7-10(3)8-11/h4,7-8H,1-2,5-6H2,3H3/b10-7+
InChIKey
NDYNCPVWWPJJKN-JXMROGBWSA-N
Compound name
(2E)-2-methyl-6-methylideneocta-2,7-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

150.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 134.1
[M+Na]+ 173.09368 140.6
[M-H]- 149.09718 134.1
[M+NH4]+ 168.13828 155.4
[M+K]+ 189.06762 138.3
[M+H-H2O]+ 133.10172 129.6
[M+HCOO]- 195.10266 155.7
[M+CH3COO]- 209.11831 178.6
[M+Na-2H]- 171.07913 136.8
[M]+ 150.10391 134.2
[M]- 150.10501 134.2
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