CID 6432778

Rac-(1r,2r)-1,2-diethylcyclopentane

Structural Information

Molecular Formula
C9H18
SMILES
CC[C@@H]1CCC[C@H]1CC
InChI
InChI=1S/C9H18/c1-3-8-6-5-7-9(8)4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKey
JKMYLSLBFNMSFP-RKDXNWHRSA-N
Compound name
(1R,2R)-1,2-diethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

126.140854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 130.0
[M+Na]+ 149.13007 136.2
[M-H]- 125.13358 133.1
[M+NH4]+ 144.17468 154.2
[M+K]+ 165.10401 135.1
[M+H-H2O]+ 109.13811 125.2
[M+HCOO]- 171.13906 152.3
[M+CH3COO]- 185.15470 173.6
[M+Na-2H]- 147.11552 133.3
[M]+ 126.14031 128.1
[M]- 126.14140 128.1
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

patents stripe