CID 42281885

1-(2-methoxyethyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C6H11N3O
SMILES
COCCN1C=C(C=N1)N
InChI
InChI=1S/C6H11N3O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3,7H2,1H3
InChIKey
LURMHCWOXHNATM-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

141.09021 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 127.8
[M+Na]+ 164.07943 136.4
[M-H]- 140.08293 128.5
[M+NH4]+ 159.12403 148.1
[M+K]+ 180.05337 135.4
[M+H-H2O]+ 124.08747 120.6
[M+HCOO]- 186.08841 152.1
[M+CH3COO]- 200.10406 175.0
[M+Na-2H]- 162.06488 133.8
[M]+ 141.08966 128.3
[M]- 141.09076 128.3
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