CID 152241939

(1-cyclopropylprop-2-yn-1-yl)cyclopropane

Structural Information

Molecular Formula
C9H12
SMILES
C#CC(C1CC1)C2CC2
InChI
InChI=1S/C9H12/c1-2-9(7-3-4-7)8-5-6-8/h1,7-9H,3-6H2
InChIKey
WDNKZRXMSWPCRH-UHFFFAOYSA-N
Compound name
1-cyclopropylprop-2-ynylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

120.0939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.101176 126.7
[M+Na]+ 143.083118 143.2
[M-H]- 119.086624 135.7
[M+NH4]+ 138.127723 139.5
[M+K]+ 159.057058 136.3
[M+H-H2O]+ 103.091160 120.6
[M+HCOO]- 165.092101 145.1
[M+CH3COO]- 179.107751 194.2
[M+Na-2H]- 141.068566 133.4
[M]+ 120.09335142 127.7
[M]- 120.09444858 127.7
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