CID 89147284

1-(5-methyl-1h-pyrazol-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC1=CC(=NN1)C(C)O
InChI
InChI=1S/C6H10N2O/c1-4-3-6(5(2)9)8-7-4/h3,5,9H,1-2H3,(H,7,8)
InChIKey
DLZOVKXVVBTQQB-UHFFFAOYSA-N
Compound name
1-(5-methyl-1H-pyrazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

126.079315 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 125.8
[M+Na]+ 149.068533 134.3
[M-H]- 125.072039 124.5
[M+NH4]+ 144.113138 146.0
[M+K]+ 165.042473 132.4
[M+H-H2O]+ 109.076575 119.8
[M+HCOO]- 171.077516 145.7
[M+CH3COO]- 185.093166 166.5
[M+Na-2H]- 147.053981 130.2
[M]+ 126.07876642 123.8
[M]- 126.07986358 123.8
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