CID 19616599

2-(3-methoxy-4-nitro-1h-pyrazol-1-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H10N4O3
SMILES
COC1=NN(C=C1[N+](=O)[O-])CCN
InChI
InChI=1S/C6H10N4O3/c1-13-6-5(10(11)12)4-9(8-6)3-2-7/h4H,2-3,7H2,1H3
InChIKey
KQSPXJGKQXGOFO-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-nitropyrazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07529 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08257 135.4
[M+Na]+ 209.06451 143.5
[M-H]- 185.06801 136.7
[M+NH4]+ 204.10911 153.2
[M+K]+ 225.03845 138.6
[M+H-H2O]+ 169.07255 132.7
[M+HCOO]- 231.07349 160.8
[M+CH3COO]- 245.08914 177.3
[M+Na-2H]- 207.04996 142.6
[M]+ 186.07474 134.8
[M]- 186.07584 134.8
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

No patent data available for this compound.