CID 123678021

1-ethynyl-1-(propan-2-yl)cyclopropane

Structural Information

Molecular Formula
C8H12
SMILES
CC(C)C1(CC1)C#C
InChI
InChI=1S/C8H12/c1-4-8(5-6-8)7(2)3/h1,7H,5-6H2,2-3H3
InChIKey
IDGZVEYABMOXAR-UHFFFAOYSA-N
Compound name
1-ethynyl-1-propan-2-ylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

108.0939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.101176 119.5
[M+Na]+ 131.083118 135.1
[M-H]- 107.086624 125.5
[M+NH4]+ 126.127723 139.3
[M+K]+ 147.057058 130.1
[M+H-H2O]+ 91.091160 112.2
[M+HCOO]- 153.092101 138.5
[M+CH3COO]- 167.107751 183.2
[M+Na-2H]- 129.068566 127.5
[M]+ 108.09335142 118.5
[M]- 108.09444858 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe