CID 136652

825-54-7

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/h1-3,6-8H,4-5,9H2
InChIKey
CXMYOMKBXNPDIW-UHFFFAOYSA-N
Compound name
cyclopenten-1-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

400
Patents

144.0939 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.101176 129.4
[M+Na]+ 167.083118 136.3
[M-H]- 143.086624 135.9
[M+NH4]+ 162.127723 152.3
[M+K]+ 183.057058 133.6
[M+H-H2O]+ 127.091160 123.3
[M+HCOO]- 189.092101 154.2
[M+CH3COO]- 203.107751 143.7
[M+Na-2H]- 165.068566 135.6
[M]+ 144.09335142 126.8
[M]- 144.09444858 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