CID 53792375

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

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1=C(NN=C1)CCCO
InChI
InChI=1S/C6H10N2O/c9-5-1-2-6-3-4-7-8-6/h3-4,9H,1-2,5H2,(H,7,8)
InChIKey
FCSXDTKTTSTKFL-UHFFFAOYSA-N
Compound name
3-(1H-pyrazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
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 125.5
[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