CID 14606881

5-amino-3-methoxy-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C5H6N4O
SMILES
COC1=NNC(=C1C#N)N
InChI
InChI=1S/C5H6N4O/c1-10-5-3(2-6)4(7)8-9-5/h1H3,(H3,7,8,9)
InChIKey
LBMAZPZMEWQBPR-UHFFFAOYSA-N
Compound name
5-amino-3-methoxy-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

138.05415 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.06143 124.9
[M+Na]+ 161.04337 135.4
[M-H]- 137.04687 124.2
[M+NH4]+ 156.08797 142.4
[M+K]+ 177.01731 133.7
[M+H-H2O]+ 121.05141 111.2
[M+HCOO]- 183.05235 144.1
[M+CH3COO]- 197.06800 185.1
[M+Na-2H]- 159.02882 129.9
[M]+ 138.05360 118.3
[M]- 138.05470 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe