CID 70000

Alpha-cyclopropylstyrene

Structural Information

Molecular Formula
C11H12
SMILES
C=C(C1CC1)C2=CC=CC=C2
InChI
InChI=1S/C11H12/c1-9(11-7-8-11)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2
InChIKey
VQBRSCDCSOKQHR-UHFFFAOYSA-N
Compound name
1-cyclopropylethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

144.0939 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.101176 127.8
[M+Na]+ 167.083118 136.3
[M-H]- 143.086624 135.3
[M+NH4]+ 162.127723 144.3
[M+K]+ 183.057058 133.5
[M+H-H2O]+ 127.091160 121.4
[M+HCOO]- 189.092101 151.7
[M+CH3COO]- 203.107751 179.5
[M+Na-2H]- 165.068566 134.6
[M]+ 144.09335142 128.2
[M]- 144.09444858 128.2
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