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]+ 182.128776 141.2
[M+Na]+ 204.110718 147.8
[M-H]- 180.114224 140.9
[M+NH4]+ 199.155323 159.2
[M+K]+ 220.084658 144.6
[M+H-H2O]+ 164.118760 133.3
[M+HCOO]- 226.119701 157.0
[M+CH3COO]- 240.135351 152.1
[M+Na-2H]- 202.096166 145.5
[M]+ 181.12095142 134.9
[M]- 181.12204858 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.