CID 79978590

1-cyclopropyl-3-ethenylbenzene

Structural Information

Molecular Formula
C11H12
SMILES
C=CC1=CC(=CC=C1)C2CC2
InChI
InChI=1S/C11H12/c1-2-9-4-3-5-11(8-9)10-6-7-10/h2-5,8,10H,1,6-7H2
InChIKey
BRZAGIIUPBIXFQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

144.0939 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.101176 127.7
[M+Na]+ 167.083118 137.4
[M-H]- 143.086624 135.5
[M+NH4]+ 162.127723 144.5
[M+K]+ 183.057058 134.1
[M+H-H2O]+ 127.091160 121.4
[M+HCOO]- 189.092101 152.4
[M+CH3COO]- 203.107751 179.8
[M+Na-2H]- 165.068566 135.0
[M]+ 144.09335142 129.1
[M]- 144.09444858 129.1
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