CID 6403

2,2-dimethylbutane

Structural Information

Molecular Formula
C6H14
SMILES
CCC(C)(C)C
InChI
InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
InChIKey
HNRMPXKDFBEGFZ-UHFFFAOYSA-N
Compound name
2,2-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

37
References

71263
Patents

86.10955 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.116826 118.4
[M+Na]+ 109.09877 129.8
[M+NH4]+ 104.14337 127.7
[M+K]+ 125.07271 124.0
[M-H]- 85.102274 118.6
[M+Na-2H]- 107.08422 123.6
[M]+ 86.109001 120.1
[M]- 86.110099 120.1
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