CID 59686773

2-[4-(methylamino)-1h-pyrazol-1-yl]ethan-1-ol

Structural Information

Molecular Formula
C6H11N3O
SMILES
CNC1=CN(N=C1)CCO
InChI
InChI=1S/C6H11N3O/c1-7-6-4-8-9(5-6)2-3-10/h4-5,7,10H,2-3H2,1H3
InChIKey
YCXQDZIPLMEYGK-UHFFFAOYSA-N
Compound name
2-[4-(methylamino)pyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

141.09021 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 128.1
[M+Na]+ 164.07943 136.3
[M-H]- 140.08293 128.0
[M+NH4]+ 159.12403 148.1
[M+K]+ 180.05337 134.8
[M+H-H2O]+ 124.08747 121.2
[M+HCOO]- 186.08841 151.6
[M+CH3COO]- 200.10406 173.1
[M+Na-2H]- 162.06488 134.7
[M]+ 141.08966 127.8
[M]- 141.09076 127.8
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