CID 21590560

1-ethynyl-1-methylcyclopropane

Structural Information

Molecular Formula
C6H8
SMILES
CC1(CC1)C#C
InChI
InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3
InChIKey
DLXBUAFBLMXVMT-UHFFFAOYSA-N
Compound name
1-ethynyl-1-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

269
Patents

80.0626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.069876 111.8
[M+Na]+ 103.05182 128.3
[M-H]- 79.055324 118.0
[M+NH4]+ 98.096423 132.6
[M+K]+ 119.02576 123.4
[M+H-H2O]+ 63.059860 104.6
[M+HCOO]- 125.06080 132.2
[M+CH3COO]- 139.07645 177.4
[M+Na-2H]- 101.03727 121.8
[M]+ 80.062051 110.7
[M]- 80.063149 110.7
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