CID 113997

63680-58-0

Structural Information

Molecular Formula
C11H11ClN2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)NCCCl
InChI
InChI=1S/C11H11ClN2/c12-7-8-13-11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8H2,(H,13,14)
InChIKey
XTNNMRPNACPWRB-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06108 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 141.5
[M+Na]+ 229.05030 150.4
[M-H]- 205.05380 144.3
[M+NH4]+ 224.09490 160.9
[M+K]+ 245.02424 145.1
[M+H-H2O]+ 189.05834 135.0
[M+HCOO]- 251.05928 160.4
[M+CH3COO]- 265.07493 154.4
[M+Na-2H]- 227.03575 151.2
[M]+ 206.06053 143.1
[M]- 206.06163 143.1
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.