CID 13598

Trans-1-ethyl-2-methylcyclopentane

Structural Information

Molecular Formula
C8H16
SMILES
CC[C@@H]1CCC[C@H]1C
InChI
InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
BSKOLJVTLRLTHE-HTQZYQBOSA-N
Compound name
(1R,2R)-1-ethyl-2-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

112.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 125.3
[M+Na]+ 135.11442 131.9
[M-H]- 111.11792 128.6
[M+NH4]+ 130.15902 150.1
[M+K]+ 151.08836 131.1
[M+H-H2O]+ 95.122460 120.7
[M+HCOO]- 157.12340 148.0
[M+CH3COO]- 171.13905 170.5
[M+Na-2H]- 133.09987 129.2
[M]+ 112.12465 123.0
[M]- 112.12575 123.0
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