CID 88243

1-ethyl-2-methylcyclopentene

Structural Information

Molecular Formula
C8H14
SMILES
CCC1=C(CCC1)C
InChI
InChI=1S/C8H14/c1-3-8-6-4-5-7(8)2/h3-6H2,1-2H3
InChIKey
MMYZGQDXYZNAQW-UHFFFAOYSA-N
Compound name
1-ethyl-2-methylcyclopentene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

63
Patents

110.10955 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.116826 123.0
[M+Na]+ 133.098768 130.7
[M-H]- 109.102274 126.7
[M+NH4]+ 128.143373 148.0
[M+K]+ 149.072708 129.7
[M+H-H2O]+ 93.106810 118.4
[M+HCOO]- 155.107751 147.1
[M+CH3COO]- 169.123401 170.1
[M+Na-2H]- 131.084216 127.9
[M]+ 110.10900142 122.1
[M]- 110.11009858 122.1
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