CID 8058

Hexane

Structural Information

Molecular Formula
C6H14
SMILES
CCCCCC
InChI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKey
VLKZOEOYAKHREP-UHFFFAOYSA-N
Compound name
hexane
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

9806
References

423784
Patents

86.10955 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.116826 118.2
[M+Na]+ 109.09877 125.5
[M-H]- 85.102274 118.6
[M+NH4]+ 104.14337 142.4
[M+K]+ 125.07271 125.6
[M+H-H2O]+ 69.106810 114.3
[M+HCOO]- 131.10775 142.1
[M+CH3COO]- 145.12340 167.5
[M+Na-2H]- 107.08422 125.6
[M]+ 86.109001 119.6
[M]- 86.110099 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.