CID 66440409

(5-ethyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C6H10N2O
SMILES
CCC1=C(C=NN1)CO
InChI
InChI=1S/C6H10N2O/c1-2-6-5(4-9)3-7-8-6/h3,9H,2,4H2,1H3,(H,7,8)
InChIKey
MROPTDZYIJISTR-UHFFFAOYSA-N
Compound name
(5-ethyl-1H-pyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 125.4
[M+Na]+ 149.068533 134.1
[M-H]- 125.072039 123.9
[M+NH4]+ 144.113138 145.6
[M+K]+ 165.042473 131.7
[M+H-H2O]+ 109.076575 119.2
[M+HCOO]- 171.077516 146.2
[M+CH3COO]- 185.093166 165.6
[M+Na-2H]- 147.053981 131.0
[M]+ 126.07876642 123.9
[M]- 126.07986358 123.9
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