CID 638068

Trans-3,4-dimethyl-2-pentene

Structural Information

Molecular Formula
C7H14
SMILES
C/C=C(\C)/C(C)C
InChI
InChI=1S/C7H14/c1-5-7(4)6(2)3/h5-6H,1-4H3/b7-5+
InChIKey
PPBWEVVDSRKEIK-FNORWQNLSA-N
Compound name
(E)-3,4-dimethylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

98.10955 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 121.8
[M+Na]+ 121.09877 128.6
[M-H]- 97.102274 122.4
[M+NH4]+ 116.14337 145.5
[M+K]+ 137.07271 128.7
[M+H-H2O]+ 81.106810 118.0
[M+HCOO]- 143.10775 143.6
[M+CH3COO]- 157.12340 170.5
[M+Na-2H]- 119.08422 126.2
[M]+ 98.109001 121.5
[M]- 98.110099 121.5
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