CID 17608730

180741-37-1

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1=CN(N=C1)CCCO
InChI
InChI=1S/C6H10N2O/c9-6-2-5-8-4-1-3-7-8/h1,3-4,9H,2,5-6H2
InChIKey
PMKIEDXXIYUBKC-UHFFFAOYSA-N
Compound name
3-pyrazol-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

126.079315 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 124.7
[M+Na]+ 149.068533 132.9
[M-H]- 125.072039 124.2
[M+NH4]+ 144.113138 145.3
[M+K]+ 165.042473 131.5
[M+H-H2O]+ 109.076575 117.9
[M+HCOO]- 171.077516 147.1
[M+CH3COO]- 185.093166 167.2
[M+Na-2H]- 147.053981 131.5
[M]+ 126.07876642 124.8
[M]- 126.07986358 124.8
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