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

2
Patents

144.0939 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10118 131.6
[M+Na]+ 167.08312 147.1
[M+NH4]+ 162.12772 142.2
[M+K]+ 183.05706 140.4
[M-H]- 143.08662 142.9
[M+Na-2H]- 165.06857 143.2
[M]+ 144.09335 138.3
[M]- 144.09445 138.3
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