CID 165605389

2751620-95-6

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]+ 196.108046 142.2
[M+Na]+ 218.089988 149.5
[M-H]- 194.093494 142.3
[M+NH4]+ 213.134593 160.7
[M+K]+ 234.063928 146.9
[M+H-H2O]+ 178.098030 135.4
[M+HCOO]- 240.098971 160.5
[M+CH3COO]- 254.114621 182.3
[M+Na-2H]- 216.075436 145.5
[M]+ 195.10022142 138.5
[M]- 195.10131858 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.