CID 1251790

2-(4-methoxynaphthalen-1-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H15NO
SMILES
COC1=CC=C(C2=CC=CC=C21)CCN
InChI
InChI=1S/C13H15NO/c1-15-13-7-6-10(8-9-14)11-4-2-3-5-12(11)13/h2-7H,8-9,14H2,1H3
InChIKey
UNFMMZNTVQPCHB-UHFFFAOYSA-N
Compound name
2-(4-methoxynaphthalen-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

201.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 143.5
[M+Na]+ 224.104588 151.7
[M-H]- 200.108094 147.8
[M+NH4]+ 219.149193 163.7
[M+K]+ 240.078528 148.2
[M+H-H2O]+ 184.112630 137.2
[M+HCOO]- 246.113571 167.4
[M+CH3COO]- 260.129221 189.3
[M+Na-2H]- 222.090036 150.8
[M]+ 201.11482142 144.2
[M]- 201.11591858 144.2
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

patents stripe