CID 1381944

202066-14-6

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)OCC)C
InChI
InChI=1S/C10H15N3O4/c1-4-6-7-8(13(15)16)9(12(3)11-7)10(14)17-5-2/h4-6H2,1-3H3
InChIKey
KCQWFZQMMAVRHG-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-4-nitro-3-propylpyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

241.10626 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 152.8
[M+Na]+ 264.095478 161.0
[M-H]- 240.098984 154.6
[M+NH4]+ 259.140083 169.2
[M+K]+ 280.069418 156.0
[M+H-H2O]+ 224.103520 150.4
[M+HCOO]- 286.104461 176.0
[M+CH3COO]- 300.120111 187.7
[M+Na-2H]- 262.080926 156.8
[M]+ 241.10571142 155.8
[M]- 241.10680858 155.8
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