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

208
Patents

126.140854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.148130 128.4
[M+Na]+ 149.130072 135.6
[M-H]- 125.133578 132.0
[M+NH4]+ 144.174677 154.7
[M+K]+ 165.104012 134.6
[M+H-H2O]+ 109.138114 124.5
[M+HCOO]- 171.139055 150.8
[M+CH3COO]- 185.154705 173.1
[M+Na-2H]- 147.115520 132.9
[M]+ 126.14030542 126.8
[M]- 126.14140258 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