CID 129887466

Nrg-3 (hydrochloride)

Structural Information

Molecular Formula
C16H19NO
SMILES
CCCC(C(=O)C1=CC2=CC=CC=C2C=C1)NC
InChI
InChI=1S/C16H19NO/c1-3-6-15(17-2)16(18)14-10-9-12-7-4-5-8-13(12)11-14/h4-5,7-11,15,17H,3,6H2,1-2H3
InChIKey
DBQUMXBQDKCIAJ-UHFFFAOYSA-N
Compound name
2-(methylamino)-1-naphthalen-2-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 242.153946 156.8
[M+Na]+ 264.135888 162.3
[M-H]- 240.139394 160.7
[M+NH4]+ 259.180493 174.9
[M+K]+ 280.109828 158.8
[M+H-H2O]+ 224.143930 149.8
[M+HCOO]- 286.144871 178.3
[M+CH3COO]- 300.160521 198.7
[M+Na-2H]- 262.121336 161.7
[M]+ 241.14612142 157.0
[M]- 241.14721858 157.0
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.