CID 43199852

1803581-22-7

Structural Information

Molecular Formula
C8H15N3O
SMILES
CN1C=C(C=N1)CC(CN)CO
InChI
InChI=1S/C8H15N3O/c1-11-5-8(4-10-11)2-7(3-9)6-12/h4-5,7,12H,2-3,6,9H2,1H3
InChIKey
OMQYYQZHGGZKNH-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.1215 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 138.3
[M+Na]+ 192.11072 145.4
[M-H]- 168.11422 137.5
[M+NH4]+ 187.15532 156.8
[M+K]+ 208.08466 143.4
[M+H-H2O]+ 152.11876 131.1
[M+HCOO]- 214.11970 159.4
[M+CH3COO]- 228.13535 179.3
[M+Na-2H]- 190.09617 141.5
[M]+ 169.12095 137.1
[M]- 169.12205 137.1
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

No patent data available for this compound.