CID 83392

2-cyclopenten-1-one, 3-methyl-2-(phenylmethyl)-

Structural Information

Molecular Formula
C13H14O
SMILES
CC1=C(C(=O)CC1)CC2=CC=CC=C2
InChI
InChI=1S/C13H14O/c1-10-7-8-13(14)12(10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
InChIKey
CCXVNJKURYRXRY-UHFFFAOYSA-N
Compound name
2-benzyl-3-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

186.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 139.9
[M+Na]+ 209.09368 148.1
[M-H]- 185.09718 147.0
[M+NH4]+ 204.13828 161.7
[M+K]+ 225.06762 144.8
[M+H-H2O]+ 169.10172 133.9
[M+HCOO]- 231.10266 164.5
[M+CH3COO]- 245.11831 182.7
[M+Na-2H]- 207.07913 143.7
[M]+ 186.10391 139.6
[M]- 186.10501 139.6
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