CID 6432537

Cis-1,1,3,4-tetramethylcyclopentane

Structural Information

Molecular Formula
C9H18
SMILES
C[C@@H]1CC(C[C@@H]1C)(C)C
InChI
InChI=1S/C9H18/c1-7-5-9(3,4)6-8(7)2/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKey
OWHFMVURUNNXMJ-OCAPTIKFSA-N
Compound name
(3S,4R)-1,1,3,4-tetramethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

34
Patents

126.140854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 126.9
[M+Na]+ 149.13007 135.0
[M-H]- 125.13358 130.9
[M+NH4]+ 144.17468 153.6
[M+K]+ 165.10401 134.0
[M+H-H2O]+ 109.13811 123.5
[M+HCOO]- 171.13906 149.3
[M+CH3COO]- 185.15470 174.2
[M+Na-2H]- 147.11552 130.9
[M]+ 126.14031 125.6
[M]- 126.14140 125.6
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