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]+ 127.08659 125.4
[M+Na]+ 149.06853 134.1
[M-H]- 125.07204 123.9
[M+NH4]+ 144.11314 145.6
[M+K]+ 165.04247 131.7
[M+H-H2O]+ 109.07658 119.2
[M+HCOO]- 171.07752 146.2
[M+CH3COO]- 185.09317 165.6
[M+Na-2H]- 147.05398 131.0
[M]+ 126.07877 123.9
[M]- 126.07986 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