CID 50989159

Methyl 2-(3-amino-1h-pyrazol-1-yl)acetate

Structural Information

Molecular Formula
C6H9N3O2
SMILES
COC(=O)CN1C=CC(=N1)N
InChI
InChI=1S/C6H9N3O2/c1-11-6(10)4-9-3-2-5(7)8-9/h2-3H,4H2,1H3,(H2,7,8)
InChIKey
AXUGRGMAYULTQT-UHFFFAOYSA-N
Compound name
methyl 2-(3-aminopyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

155.06947 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 130.4
[M+Na]+ 178.05869 139.0
[M-H]- 154.06219 131.4
[M+NH4]+ 173.10329 150.1
[M+K]+ 194.03263 138.4
[M+H-H2O]+ 138.06673 123.2
[M+HCOO]- 200.06767 154.1
[M+CH3COO]- 214.08332 176.4
[M+Na-2H]- 176.04414 135.2
[M]+ 155.06892 131.0
[M]- 155.07002 131.0
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