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]+ 212.139356 148.4
[M+Na]+ 234.121298 157.2
[M-H]- 210.124804 149.5
[M+NH4]+ 229.165903 166.5
[M+K]+ 250.095238 155.5
[M+H-H2O]+ 194.129340 141.2
[M+HCOO]- 256.130281 170.8
[M+CH3COO]- 270.145931 190.8
[M+Na-2H]- 232.106746 149.7
[M]+ 211.13153142 151.2
[M]- 211.13262858 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.