CID 170916671

[5-(aminomethyl)-1h-indazol-3-yl]methanol

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1=CC2=NNC(=C2C=C1CN)CO
InChI
InChI=1S/C9H11N3O/c10-4-6-1-2-8-7(3-6)9(5-13)12-11-8/h1-3,13H,4-5,10H2,(H,11,12)
InChIKey
RZXGVUGKFMKCSO-UHFFFAOYSA-N
Compound name
[5-(aminomethyl)-2H-indazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 135.5
[M+Na]+ 200.079428 145.5
[M-H]- 176.082934 135.2
[M+NH4]+ 195.124033 154.5
[M+K]+ 216.053368 140.8
[M+H-H2O]+ 160.087470 129.0
[M+HCOO]- 222.088411 157.3
[M+CH3COO]- 236.104061 148.4
[M+Na-2H]- 198.064876 142.5
[M]+ 177.08966142 134.3
[M]- 177.09075858 134.3
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.