CID 117213905

1864856-02-9

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC(C)N1C(=C(C=N1)C(=O)OC)N
InChI
InChI=1S/C8H13N3O2/c1-5(2)11-7(9)6(4-10-11)8(12)13-3/h4-5H,9H2,1-3H3
InChIKey
UQUKPKIQSQJTMU-UHFFFAOYSA-N
Compound name
methyl 5-amino-1-propan-2-ylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 139.8
[M+Na]+ 206.089988 148.2
[M-H]- 182.093494 141.0
[M+NH4]+ 201.134593 158.6
[M+K]+ 222.063928 147.6
[M+H-H2O]+ 166.098030 132.8
[M+HCOO]- 228.098971 161.9
[M+CH3COO]- 242.114621 184.5
[M+Na-2H]- 204.075436 141.6
[M]+ 183.10022142 140.8
[M]- 183.10131858 140.8
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

No patent data available for this compound.