CID 35367

1,1,2-trimethylcyclopentane

Structural Information

Molecular Formula
C8H16
SMILES
CC1CCCC1(C)C
InChI
InChI=1S/C8H16/c1-7-5-4-6-8(7,2)3/h7H,4-6H2,1-3H3
InChIKey
WINCSBAYCULVDU-UHFFFAOYSA-N
Compound name
1,1,2-trimethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

852
Patents

112.1252 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 125.1
[M+Na]+ 135.11442 136.0
[M+NH4]+ 130.15902 136.6
[M+K]+ 151.08836 129.2
[M-H]- 111.11792 127.4
[M+Na-2H]- 133.09987 131.8
[M]+ 112.12465 127.4
[M]- 112.12575 127.4
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