CID 12222955

2,2-dimethyl-3-phenylcyclobutan-1-one

Structural Information

Molecular Formula
C12H14O
SMILES
CC1(C(CC1=O)C2=CC=CC=C2)C
InChI
InChI=1S/C12H14O/c1-12(2)10(8-11(12)13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey
RQFJJICAYZMXDO-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-phenylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 134.1
[M+Na]+ 197.09368 142.0
[M-H]- 173.09718 141.4
[M+NH4]+ 192.13828 150.4
[M+K]+ 213.06762 142.4
[M+H-H2O]+ 157.10172 124.4
[M+HCOO]- 219.10266 156.5
[M+CH3COO]- 233.11831 184.8
[M+Na-2H]- 195.07913 140.3
[M]+ 174.10391 142.8
[M]- 174.10501 142.8
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