CID 5279302

2-amino-1-(3,5-dimethylphenyl)-4-methyl-pentan-3-one

Structural Information

Molecular Formula
C14H21NO
SMILES
CC1=CC(=CC(=C1)CC(C(=O)C(C)C)N)C
InChI
InChI=1S/C14H21NO/c1-9(2)14(16)13(15)8-12-6-10(3)5-11(4)7-12/h5-7,9,13H,8,15H2,1-4H3
InChIKey
BAVGXXXWDVVUAK-UHFFFAOYSA-N
Compound name
2-amino-1-(3,5-dimethylphenyl)-4-methylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.5
[M+Na]+ 242.15153 159.3
[M-H]- 218.15503 156.6
[M+NH4]+ 237.19613 171.7
[M+K]+ 258.12547 157.2
[M+H-H2O]+ 202.15957 147.4
[M+HCOO]- 264.16051 174.2
[M+CH3COO]- 278.17616 196.7
[M+Na-2H]- 240.13698 153.1
[M]+ 219.16176 153.0
[M]- 219.16286 153.0
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

No patent data available for this compound.