CID 178200856

(1-ethylcyclobutyl)(phenyl)methanone

Structural Information

Molecular Formula
C13H16O
SMILES
CCC1(CCC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16O/c1-2-13(9-6-10-13)12(14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey
CJVFNRTZLAEBKR-UHFFFAOYSA-N
Compound name
(1-ethylcyclobutyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 141.6
[M+Na]+ 211.109338 146.9
[M-H]- 187.112844 148.0
[M+NH4]+ 206.153943 156.5
[M+K]+ 227.083278 147.5
[M+H-H2O]+ 171.117380 131.1
[M+HCOO]- 233.118321 162.6
[M+CH3COO]- 247.133971 186.5
[M+Na-2H]- 209.094786 147.1
[M]+ 188.11957142 149.1
[M]- 188.12066858 149.1
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.