CID 7892

2-methylpentane

Structural Information

Molecular Formula
C6H14
SMILES
CCCC(C)C
InChI
InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey
AFABGHUZZDYHJO-UHFFFAOYSA-N
Compound name
2-methylpentane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

91
References

138049
Patents

86.10955 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.116826 118.6
[M+Na]+ 109.098768 125.6
[M-H]- 85.102274 119.1
[M+NH4]+ 104.143373 142.8
[M+K]+ 125.072708 126.1
[M+H-H2O]+ 69.106810 114.7
[M+HCOO]- 131.107751 141.4
[M+CH3COO]- 145.123401 168.3
[M+Na-2H]- 107.084216 124.7
[M]+ 86.10900142 119.3
[M]- 86.11009858 119.3
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