CID 20715109

78208-56-7

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC1=NN(C(=C1N)C(=O)OC)C

InChI

InChI=1S/C7H11N3O2/c1-4-5(8)6(7(11)12-3)10(2)9-4/h8H2,1-3H3

InChIKey

PUTMXTILUKFDHK-UHFFFAOYSA-N

Compound name

methyl 4-amino-2,5-dimethylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 169.08513 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.09241	135.6
[M+Na]+	192.07435	145.7
[M+NH4]+	187.11895	141.9
[M+K]+	208.04829	143.9
[M-H]-	168.07785	135.1
[M+Na-2H]-	190.05980	139.1
[M]+	169.08458	136.4
[M]-	169.08568	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe