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]+ 207.068356 141.5
[M+Na]+ 229.050298 150.4
[M-H]- 205.053804 144.3
[M+NH4]+ 224.094903 160.9
[M+K]+ 245.024238 145.1
[M+H-H2O]+ 189.058340 135.0
[M+HCOO]- 251.059281 160.4
[M+CH3COO]- 265.074931 154.4
[M+Na-2H]- 227.035746 151.2
[M]+ 206.06053142 143.1
[M]- 206.06162858 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.