CID 3063181

2-propiononaphthone, 2-(isopropylamino)-, hydrochloride

Structural Information

Molecular Formula
C16H19NO
SMILES
CC(C)NC(C)C(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C16H19NO/c1-11(2)17-12(3)16(18)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,17H,1-3H3
InChIKey
RZEGAUHOOVLKOZ-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

241.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 156.9
[M+Na]+ 264.13589 162.2
[M-H]- 240.13939 160.9
[M+NH4]+ 259.18049 175.0
[M+K]+ 280.10983 159.2
[M+H-H2O]+ 224.14393 150.1
[M+HCOO]- 286.14487 177.4
[M+CH3COO]- 300.16052 199.6
[M+Na-2H]- 262.12134 160.6
[M]+ 241.14612 156.6
[M]- 241.14722 156.6
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.