CID 26370413

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

Structural Information

Molecular Formula
C6H10N2O
SMILES
C[C@H](C1=NN(C=C1)C)O
InChI
InChI=1S/C6H10N2O/c1-5(9)6-3-4-8(2)7-6/h3-5,9H,1-2H3/t5-/m1/s1
InChIKey
IYZHSRBTZXDIHP-RXMQYKEDSA-N
Compound name
(1R)-1-(1-methylpyrazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 124.9
[M+Na]+ 149.068533 133.7
[M-H]- 125.072039 124.9
[M+NH4]+ 144.113138 145.8
[M+K]+ 165.042473 132.8
[M+H-H2O]+ 109.076575 118.6
[M+HCOO]- 171.077516 146.3
[M+CH3COO]- 185.093166 169.1
[M+Na-2H]- 147.053981 129.8
[M]+ 126.07876642 124.7
[M]- 126.07986358 124.7
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