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

2
Patents

120.0939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.10118 126.7
[M+Na]+ 143.08312 143.2
[M-H]- 119.08662 135.7
[M+NH4]+ 138.12772 139.5
[M+K]+ 159.05706 136.3
[M+H-H2O]+ 103.09116 120.6
[M+HCOO]- 165.09210 145.1
[M+CH3COO]- 179.10775 194.2
[M+Na-2H]- 141.06857 133.4
[M]+ 120.09335 127.7
[M]- 120.09445 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