CID 90401

24206-69-7

Structural Information

Molecular Formula
C13H19NO
SMILES
CC(C)(CC(=O)C1=CC=CC=C1)N(C)C
InChI
InChI=1S/C13H19NO/c1-13(2,14(3)4)10-12(15)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKey
VDMBEFDZSUGNGD-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-3-methyl-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.9
[M+Na]+ 228.13589 153.4
[M-H]- 204.13939 152.6
[M+NH4]+ 223.18049 167.3
[M+K]+ 244.10983 152.7
[M+H-H2O]+ 188.14393 141.7
[M+HCOO]- 250.14487 170.6
[M+CH3COO]- 264.16052 194.1
[M+Na-2H]- 226.12134 153.0
[M]+ 205.14612 149.5
[M]- 205.14722 149.5
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.