CID 138991436

Methyl 3-(2-aminopropan-2-yl)-1h-pyrazole-5-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC(C)(C1=CC(=NN1)C(=O)OC)N
InChI
InChI=1S/C8H13N3O2/c1-8(2,9)6-4-5(10-11-6)7(12)13-3/h4H,9H2,1-3H3,(H,10,11)
InChIKey
ZSVPROROVRCVPG-UHFFFAOYSA-N
Compound name
methyl 5-(2-aminopropan-2-yl)-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 140.8
[M+Na]+ 206.08999 148.6
[M-H]- 182.09349 140.5
[M+NH4]+ 201.13459 158.8
[M+K]+ 222.06393 147.0
[M+H-H2O]+ 166.09803 134.4
[M+HCOO]- 228.09897 160.8
[M+CH3COO]- 242.11462 180.2
[M+Na-2H]- 204.07544 144.9
[M]+ 183.10022 139.7
[M]- 183.10132 139.7
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.