CID 117109482

(4-chloro-2h-indazol-6-yl)methanamine

Structural Information

Molecular Formula
C8H8ClN3
SMILES
C1=C(C=C(C2=C1NN=C2)Cl)CN
InChI
InChI=1S/C8H8ClN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,3,10H2,(H,11,12)
InChIKey
RCDYVEBVZKKRCJ-UHFFFAOYSA-N
Compound name
(4-chloro-1H-indazol-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.04068 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.047956 134.5
[M+Na]+ 204.029898 146.2
[M-H]- 180.033404 135.3
[M+NH4]+ 199.074503 154.9
[M+K]+ 220.003838 140.3
[M+H-H2O]+ 164.037940 128.4
[M+HCOO]- 226.038881 153.1
[M+CH3COO]- 240.054531 148.1
[M+Na-2H]- 202.015346 141.8
[M]+ 181.04013142 135.2
[M]- 181.04122858 135.2
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.