CID 93290

1-ethyl-1-methylcyclopropane

Structural Information

Molecular Formula
C6H12
SMILES
CCC1(CC1)C
InChI
InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3
InChIKey
CXYUCHDVLWUDNS-UHFFFAOYSA-N
Compound name
1-ethyl-1-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2272
Patents

84.0939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.101176 116.9
[M+Na]+ 107.083118 126.7
[M-H]- 83.086624 122.2
[M+NH4]+ 102.127723 138.0
[M+K]+ 123.057058 126.7
[M+H-H2O]+ 67.091160 112.8
[M+HCOO]- 129.092101 140.8
[M+CH3COO]- 143.107751 169.4
[M+Na-2H]- 105.068566 125.8
[M]+ 84.09335142 119.7
[M]- 84.09444858 119.7
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