CID 11651188

(2e)-2-(phenylmethylidene)cyclobutan-1-one

Structural Information

Molecular Formula
C11H10O
SMILES
C\1CC(=O)/C1=C/C2=CC=CC=C2
InChI
InChI=1S/C11H10O/c12-11-7-6-10(11)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8+
InChIKey
OARKISAIZLETMQ-CSKARUKUSA-N
Compound name
(2E)-2-benzylidenecyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

158.07317 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 127.1
[M+Na]+ 181.06239 134.0
[M-H]- 157.06589 133.8
[M+NH4]+ 176.10699 141.7
[M+K]+ 197.03633 134.0
[M+H-H2O]+ 141.07043 116.4
[M+HCOO]- 203.07137 150.1
[M+CH3COO]- 217.08702 179.8
[M+Na-2H]- 179.04784 133.7
[M]+ 158.07262 134.0
[M]- 158.07372 134.0
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