CID 62786574

1341369-39-8

Structural Information

Molecular Formula
C9H15N3O
SMILES
CN1C=C(C=N1)C2(CCNCC2)O
InChI
InChI=1S/C9H15N3O/c1-12-7-8(6-11-12)9(13)2-4-10-5-3-9/h6-7,10,13H,2-5H2,1H3
InChIKey
KBRISCUGMBXEQV-UHFFFAOYSA-N
Compound name
4-(1-methylpyrazol-4-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 141.2
[M+Na]+ 204.11072 147.8
[M-H]- 180.11422 140.9
[M+NH4]+ 199.15532 159.2
[M+K]+ 220.08466 144.6
[M+H-H2O]+ 164.11876 133.3
[M+HCOO]- 226.11970 157.0
[M+CH3COO]- 240.13535 152.1
[M+Na-2H]- 202.09617 145.5
[M]+ 181.12095 134.9
[M]- 181.12205 134.9
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.