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 127.7
[M+Na]+ 167.08312 137.4
[M-H]- 143.08662 135.5
[M+NH4]+ 162.12772 144.5
[M+K]+ 183.05706 134.1
[M+H-H2O]+ 127.09116 121.4
[M+HCOO]- 189.09210 152.4
[M+CH3COO]- 203.10775 179.8
[M+Na-2H]- 165.06857 135.0
[M]+ 144.09335 129.1
[M]- 144.09445 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