CID 43647499

Ethyl 2-[4-(aminomethyl)-3,5-dimethyl-1h-pyrazol-1-yl]acetate hydrochloride

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CCOC(=O)CN1C(=C(C(=N1)C)CN)C
InChI
InChI=1S/C10H17N3O2/c1-4-15-10(14)6-13-8(3)9(5-11)7(2)12-13/h4-6,11H2,1-3H3
InChIKey
GLXVMRDARZIJBU-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 148.4
[M+Na]+ 234.12130 157.2
[M-H]- 210.12480 149.5
[M+NH4]+ 229.16590 166.5
[M+K]+ 250.09524 155.5
[M+H-H2O]+ 194.12934 141.2
[M+HCOO]- 256.13028 170.8
[M+CH3COO]- 270.14593 190.8
[M+Na-2H]- 232.10675 149.7
[M]+ 211.13153 151.2
[M]- 211.13263 151.2
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.