CID 69977

822-93-5

Structural Information

Molecular Formula
C8H12
SMILES
C=C(C1CC1)C2CC2
InChI
InChI=1S/C8H12/c1-6(7-2-3-7)8-4-5-8/h7-8H,1-5H2
InChIKey
RXCSODBXHNSSCQ-UHFFFAOYSA-N
Compound name
1-cyclopropylethenylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

108.0939 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.10118 131.7
[M+Na]+ 131.08312 138.9
[M-H]- 107.08662 139.0
[M+NH4]+ 126.12772 142.8
[M+K]+ 147.05706 138.0
[M+H-H2O]+ 91.091160 125.8
[M+HCOO]- 153.09210 151.9
[M+CH3COO]- 167.10775 184.8
[M+Na-2H]- 129.06857 135.7
[M]+ 108.09335 133.6
[M]- 108.09445 133.6
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