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

trans-(1R,2R)-1,2-diethylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 126.140854 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.148130	130.0
[M+Na]+	149.130072	136.2
[M-H]-	125.133578	133.1
[M+NH4]+	144.174677	154.2
[M+K]+	165.104012	135.1
[M+H-H2O]+	109.138114	125.2
[M+HCOO]-	171.139055	152.3
[M+CH3COO]-	185.154705	173.6
[M+Na-2H]-	147.115520	133.3
[M]+	126.14030542	128.1
[M]-	126.14140258	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe