CID 142190

37689-22-8

Structural Information

Molecular Formula
C11H12
SMILES
C1CC(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H12/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-4,6-8,11H,5,9H2
InChIKey
ZOZIUVMYACMJGS-UHFFFAOYSA-N
Compound name
cyclopent-2-en-1-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

144.0939 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10118 129.4
[M+Na]+ 167.08312 136.3
[M-H]- 143.08662 135.9
[M+NH4]+ 162.12772 152.3
[M+K]+ 183.05706 133.6
[M+H-H2O]+ 127.09116 123.3
[M+HCOO]- 189.09210 154.2
[M+CH3COO]- 203.10775 143.7
[M+Na-2H]- 165.06857 135.6
[M]+ 144.09335 126.8
[M]- 144.09445 126.8
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