CID 44119238

1001906-62-2

Structural Information

Molecular Formula
C9H11N3
SMILES
CC(C1=CC2=C(C=C1)NN=C2)N
InChI
InChI=1S/C9H11N3/c1-6(10)7-2-3-9-8(4-7)5-11-12-9/h2-6H,10H2,1H3,(H,11,12)
InChIKey
XAOQGHCTRDZPSK-UHFFFAOYSA-N
Compound name
1-(1H-indazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

161.09529 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 132.6
[M+Na]+ 184.084508 141.9
[M-H]- 160.088014 133.4
[M+NH4]+ 179.129113 152.6
[M+K]+ 200.058448 138.1
[M+H-H2O]+ 144.092550 125.8
[M+HCOO]- 206.093491 154.6
[M+CH3COO]- 220.109141 145.8
[M+Na-2H]- 182.069956 139.5
[M]+ 161.09474142 130.8
[M]- 161.09583858 130.8
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