CID 6589

2,3-dimethylbutane

Structural Information

Molecular Formula
C6H14
SMILES
CC(C)C(C)C
InChI
InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
InChIKey
ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
Compound name
2,3-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

15
References

84065
Patents

86.10955 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.116826 118.6
[M+Na]+ 109.09877 129.6
[M+NH4]+ 104.14337 127.9
[M+K]+ 125.07271 124.2
[M-H]- 85.102274 119.0
[M+Na-2H]- 107.08422 123.2
[M]+ 86.109001 120.2
[M]- 86.110099 120.2
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