CID 522586

Benzene, (cyclopropylidenemethyl)-

Structural Information

Molecular Formula
C10H10
SMILES
C1CC1=CC2=CC=CC=C2
InChI
InChI=1S/C10H10/c1-2-4-9(5-3-1)8-10-6-7-10/h1-5,8H,6-7H2
InChIKey
VXAOEHNEGSMNAU-UHFFFAOYSA-N
Compound name
cyclopropylidenemethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3891
Patents

130.07825 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.085526 124.1
[M+Na]+ 153.067468 133.5
[M-H]- 129.070974 131.8
[M+NH4]+ 148.112073 141.3
[M+K]+ 169.041408 130.6
[M+H-H2O]+ 113.075510 117.9
[M+HCOO]- 175.076451 149.3
[M+CH3COO]- 189.092101 175.3
[M+Na-2H]- 151.052916 132.6
[M]+ 130.07770142 124.7
[M]- 130.07879858 124.7
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