CID 75355832

1-(4-chloronaphthalen-1-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H12ClN
SMILES
CC(C1=CC=C(C2=CC=CC=C21)Cl)N
InChI
InChI=1S/C12H12ClN/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-8H,14H2,1H3
InChIKey
XQOJNXMFDXTZML-UHFFFAOYSA-N
Compound name
1-(4-chloronaphthalen-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07311 142.8
[M+Na]+ 228.05505 152.0
[M-H]- 204.05855 147.1
[M+NH4]+ 223.09965 163.7
[M+K]+ 244.02899 146.8
[M+H-H2O]+ 188.06309 137.8
[M+HCOO]- 250.06403 161.2
[M+CH3COO]- 264.07968 188.9
[M+Na-2H]- 226.04050 148.9
[M]+ 205.06528 143.2
[M]- 205.06638 143.2
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.