CID 41123

2-ethyl-1,1-dimethylcyclopentane

Structural Information

Molecular Formula
C9H18
SMILES
CCC1CCCC1(C)C
InChI
InChI=1S/C9H18/c1-4-8-6-5-7-9(8,2)3/h8H,4-7H2,1-3H3
InChIKey
RXPIHZJWAFCHEJ-UHFFFAOYSA-N
Compound name
2-ethyl-1,1-dimethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

37
Patents

126.140854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 128.4
[M+Na]+ 149.13007 135.6
[M-H]- 125.13358 132.0
[M+NH4]+ 144.17468 154.7
[M+K]+ 165.10401 134.6
[M+H-H2O]+ 109.13811 124.5
[M+HCOO]- 171.13906 150.8
[M+CH3COO]- 185.15470 173.1
[M+Na-2H]- 147.11552 132.9
[M]+ 126.14031 126.8
[M]- 126.14140 126.8
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