CID 3578384

3-(1h-pyrazol-4-yl)propan-1-ol

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1=C(C=NN1)CCCO
InChI
InChI=1S/C6H10N2O/c9-3-1-2-6-4-7-8-5-6/h4-5,9H,1-3H2,(H,7,8)
InChIKey
LGBRAJDGWUXFBO-UHFFFAOYSA-N
Compound name
3-(1H-pyrazol-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

126.079315 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 125.5
[M+Na]+ 149.06853 133.2
[M-H]- 125.07204 123.6
[M+NH4]+ 144.11314 145.3
[M+K]+ 165.04247 130.9
[M+H-H2O]+ 109.07658 118.9
[M+HCOO]- 171.07752 146.3
[M+CH3COO]- 185.09317 164.5
[M+Na-2H]- 147.05398 131.8
[M]+ 126.07877 123.6
[M]- 126.07986 123.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe