CID 90405

24206-71-1

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C)(CC(=O)C1=CC=CC=C1)NC
InChI
InChI=1S/C12H17NO/c1-12(2,13-3)9-11(14)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKey
JFDDECPKYJIFPI-UHFFFAOYSA-N
Compound name
3-methyl-3-(methylamino)-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.0
[M+Na]+ 214.12023 149.7
[M-H]- 190.12373 147.4
[M+NH4]+ 209.16483 163.3
[M+K]+ 230.09417 147.9
[M+H-H2O]+ 174.12827 138.1
[M+HCOO]- 236.12921 166.5
[M+CH3COO]- 250.14486 187.5
[M+Na-2H]- 212.10568 150.3
[M]+ 191.13046 143.9
[M]- 191.13156 143.9
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.