CID 5388507

Nsc636685

Structural Information

Molecular Formula
C19H20O
SMILES
CC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H20O/c1-19(2,3)18(20)14-11-15-9-12-17(13-10-15)16-7-5-4-6-8-16/h4-14H,1-3H3/b14-11+
InChIKey
ALDISYCYJQZKBD-SDNWHVSQSA-N
Compound name
(E)-4,4-dimethyl-1-(4-phenylphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.15143 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15871 163.4
[M+Na]+ 287.14065 169.8
[M-H]- 263.14415 169.8
[M+NH4]+ 282.18525 180.0
[M+K]+ 303.11459 165.0
[M+H-H2O]+ 247.14869 156.2
[M+HCOO]- 309.14963 184.2
[M+CH3COO]- 323.16528 198.4
[M+Na-2H]- 285.12610 167.6
[M]+ 264.15088 163.4
[M]- 264.15198 163.4
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