CID 22674114

1-chloroisoquinolin-6-amine

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC2=C(C=CN=C2Cl)C=C1N
InChI
InChI=1S/C9H7ClN2/c10-9-8-2-1-7(11)5-6(8)3-4-12-9/h1-5H,11H2
InChIKey
TZBKVCUKSMTGMP-UHFFFAOYSA-N
Compound name
1-chloroisoquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

178.02977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.037046 133.0
[M+Na]+ 201.018988 143.8
[M-H]- 177.022494 136.2
[M+NH4]+ 196.063593 153.7
[M+K]+ 216.992928 138.7
[M+H-H2O]+ 161.027030 127.4
[M+HCOO]- 223.027971 152.0
[M+CH3COO]- 237.043621 147.0
[M+Na-2H]- 199.004436 142.1
[M]+ 178.02922142 133.4
[M]- 178.03031858 133.4
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

patents stripe