CID 165605389

Methyl 3-amino-4,5,6,7-tetrahydro-1h-indazole-7-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H13N3O2
SMILES
COC(=O)C1CCCC2=C1NN=C2N
InChI
InChI=1S/C9H13N3O2/c1-14-9(13)6-4-2-3-5-7(6)11-12-8(5)10/h6H,2-4H2,1H3,(H3,10,11,12)
InChIKey
NKFQEDGPOIXHIL-UHFFFAOYSA-N
Compound name
methyl 3-amino-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.2
[M+Na]+ 218.08999 149.5
[M-H]- 194.09349 142.3
[M+NH4]+ 213.13459 160.7
[M+K]+ 234.06393 146.9
[M+H-H2O]+ 178.09803 135.4
[M+HCOO]- 240.09897 160.5
[M+CH3COO]- 254.11462 182.3
[M+Na-2H]- 216.07544 145.5
[M]+ 195.10022 138.5
[M]- 195.10132 138.5
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.