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
7
Annotation Hits

37
References

141200
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 117.9
[M+Na]+ 109.09877 125.8
[M-H]- 85.102274 118.8
[M+NH4]+ 104.14337 142.4
[M+K]+ 125.07271 126.2
[M+H-H2O]+ 69.106810 114.7
[M+HCOO]- 131.10775 140.3
[M+CH3COO]- 145.12340 167.1
[M+Na-2H]- 107.08422 125.9
[M]+ 86.109001 118.7
[M]- 86.110099 118.7
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