CID 6434062

Einecs 249-805-0

Structural Information

Molecular Formula
C10H16
SMILES
CC(C)/C=C/C=C(\C)/C=C
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-9H,1H2,2-4H3/b7-6+,10-8+
InChIKey
PMRMCTRIVCIICU-LQPGMRSMSA-N
Compound name
(3E,5E)-3,7-dimethylocta-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

136.1252 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 132.6
[M+Na]+ 159.11442 138.9
[M-H]- 135.11792 132.7
[M+NH4]+ 154.15902 154.7
[M+K]+ 175.08836 136.8
[M+H-H2O]+ 119.12246 128.3
[M+HCOO]- 181.12340 153.8
[M+CH3COO]- 195.13905 177.0
[M+Na-2H]- 157.09987 135.4
[M]+ 136.12465 131.9
[M]- 136.12575 131.9
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