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

1
Patents

169.1215 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.128776 138.3
[M+Na]+ 192.110718 145.4
[M-H]- 168.114224 137.5
[M+NH4]+ 187.155323 156.8
[M+K]+ 208.084658 143.4
[M+H-H2O]+ 152.118760 131.1
[M+HCOO]- 214.119701 159.4
[M+CH3COO]- 228.135351 179.3
[M+Na-2H]- 190.096166 141.5
[M]+ 169.12095142 137.1
[M]- 169.12204858 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.