CID 643935

Cis-3-methyl-2-pentene

Structural Information

Molecular Formula
C6H12
SMILES
CC/C(=C\C)/C
InChI
InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4-
InChIKey
BEQGRRJLJLVQAQ-XQRVVYSFSA-N
Compound name
(Z)-3-methylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

18481
Patents

84.0939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.101176 117.1
[M+Na]+ 107.083118 124.5
[M-H]- 83.086624 117.7
[M+NH4]+ 102.127723 141.3
[M+K]+ 123.057058 124.4
[M+H-H2O]+ 67.091160 113.3
[M+HCOO]- 129.092101 140.1
[M+CH3COO]- 143.107751 166.6
[M+Na-2H]- 105.068566 123.2
[M]+ 84.09335142 117.0
[M]- 84.09444858 117.0
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