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

347
Patents

141.09021 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.097486 127.8
[M+Na]+ 164.079428 136.4
[M-H]- 140.082934 128.5
[M+NH4]+ 159.124033 148.1
[M+K]+ 180.053368 135.4
[M+H-H2O]+ 124.087470 120.6
[M+HCOO]- 186.088411 152.1
[M+CH3COO]- 200.104061 175.0
[M+Na-2H]- 162.064876 133.8
[M]+ 141.08966142 128.3
[M]- 141.09075858 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