CID 60109669

Ethyl 5-(aminomethyl)-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCOC(=O)C1=C(NN=C1)CN
InChI
InChI=1S/C7H11N3O2/c1-2-12-7(11)5-4-9-10-6(5)3-8/h4H,2-3,8H2,1H3,(H,9,10)
InChIKey
ZWIJQVKGWPTVFR-UHFFFAOYSA-N
Compound name
ethyl 5-(aminomethyl)-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

169.08513 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 135.7
[M+Na]+ 192.07435 143.4
[M-H]- 168.07785 135.1
[M+NH4]+ 187.11895 154.0
[M+K]+ 208.04829 141.6
[M+H-H2O]+ 152.08239 128.5
[M+HCOO]- 214.08333 157.5
[M+CH3COO]- 228.09898 176.8
[M+Na-2H]- 190.05980 139.4
[M]+ 169.08458 134.7
[M]- 169.08568 134.7
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

patents stripe