CID 7282

3-methylpentane

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

63
References

73586
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 118.1
[M+Na]+ 109.09877 129.4
[M+NH4]+ 104.14337 127.5
[M+K]+ 125.07271 123.3
[M-H]- 85.102274 118.8
[M+Na-2H]- 107.08422 123.1
[M]+ 86.109001 119.9
[M]- 86.110099 119.9
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