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

399
Patents

144.0939 Da
Monoisotopic Mass

4.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.