CID 11249

2,3-dimethyl-1-butene

Structural Information

Molecular Formula
C6H12
SMILES
CC(C)C(=C)C
InChI
InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3
InChIKey
OWWIWYDDISJUMY-UHFFFAOYSA-N
Compound name
2,3-dimethylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

18134
Patents

84.0939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.101176 116.9
[M+Na]+ 107.083118 124.0
[M-H]- 83.086624 117.6
[M+NH4]+ 102.127723 141.0
[M+K]+ 123.057058 124.3
[M+H-H2O]+ 67.091160 113.2
[M+HCOO]- 129.092101 139.0
[M+CH3COO]- 143.107751 168.1
[M+Na-2H]- 105.068566 121.8
[M]+ 84.09335142 116.2
[M]- 84.09444858 116.2
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