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]+ 109.10118 119.5
[M+Na]+ 131.08312 135.1
[M-H]- 107.08662 125.5
[M+NH4]+ 126.12772 139.3
[M+K]+ 147.05706 130.1
[M+H-H2O]+ 91.091160 112.2
[M+HCOO]- 153.09210 138.5
[M+CH3COO]- 167.10775 183.2
[M+Na-2H]- 129.06857 127.5
[M]+ 108.09335 118.5
[M]- 108.09445 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