CID 137194912

1378820-45-1

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CCOC(=O)C1=CC2=C(N1)C=NN2C
InChI
InChI=1S/C9H11N3O2/c1-3-14-9(13)6-4-8-7(11-6)5-10-12(8)2/h4-5,11H,3H2,1-2H3
InChIKey
PXOGVQYAJQCHCB-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 140.7
[M+Na]+ 216.07435 151.6
[M-H]- 192.07785 141.2
[M+NH4]+ 211.11895 160.6
[M+K]+ 232.04829 149.2
[M+H-H2O]+ 176.08239 133.8
[M+HCOO]- 238.08333 162.3
[M+CH3COO]- 252.09898 180.2
[M+Na-2H]- 214.05980 144.5
[M]+ 193.08458 144.3
[M]- 193.08568 144.3
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