CID 7296

Methylcyclopentane

Structural Information

Molecular Formula
C6H12
SMILES
CC1CCCC1
InChI
InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKey
GDOPTJXRTPNYNR-UHFFFAOYSA-N
Compound name
methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

45
References

123931
Patents

84.0939 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.101176 117.1
[M+Na]+ 107.08312 127.8
[M+NH4]+ 102.12772 127.4
[M+K]+ 123.05706 123.0
[M-H]- 83.086624 119.4
[M+Na-2H]- 105.06857 122.9
[M]+ 84.093351 119.1
[M]- 84.094449 119.1
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