CID 12243

2-methyl-2-pentene

Structural Information

Molecular Formula
C6H12
SMILES
CCC=C(C)C
InChI
InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3
InChIKey
JMMZCWZIJXAGKW-UHFFFAOYSA-N
Compound name
2-methylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

39614
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]+ 107.08312 124.5
[M-H]- 83.086624 117.7
[M+NH4]+ 102.12772 141.3
[M+K]+ 123.05706 124.4
[M+H-H2O]+ 67.091160 113.3
[M+HCOO]- 129.09210 140.1
[M+CH3COO]- 143.10775 166.6
[M+Na-2H]- 105.06857 123.2
[M]+ 84.093351 117.0
[M]- 84.094449 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