CID 28030

1-ethyl-1-methylcyclopentane

Structural Information

Molecular Formula
C8H16
SMILES
CCC1(CCCC1)C
InChI
InChI=1S/C8H16/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3
InChIKey
LETYIFNDQBJGPJ-UHFFFAOYSA-N
Compound name
1-ethyl-1-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1092
Patents

112.1252 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 125.2
[M+Na]+ 135.11442 131.8
[M-H]- 111.11792 128.5
[M+NH4]+ 130.15902 151.7
[M+K]+ 151.08836 131.1
[M+H-H2O]+ 95.122460 121.1
[M+HCOO]- 157.12340 147.9
[M+CH3COO]- 171.13905 169.0
[M+Na-2H]- 133.09987 130.8
[M]+ 112.12465 122.7
[M]- 112.12575 122.7
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