CID 126827699

1346216-33-8

Structural Information

Molecular Formula
C11H17N3O
SMILES
CN1C(=CC=N1)C2(C[C@H]3CC[C@@H](C2)N3)O
InChI
InChI=1S/C11H17N3O/c1-14-10(4-5-12-14)11(15)6-8-2-3-9(7-11)13-8/h4-5,8-9,13,15H,2-3,6-7H2,1H3/t8-,9+,11?
InChIKey
SDXRTBLFMFMZQS-SLHIUPAKSA-N
Compound name
(1S,5R)-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.144436 148.3
[M+Na]+ 230.126378 155.7
[M-H]- 206.129884 147.9
[M+NH4]+ 225.170983 168.9
[M+K]+ 246.100318 151.8
[M+H-H2O]+ 190.134420 141.1
[M+HCOO]- 252.135361 162.5
[M+CH3COO]- 266.151011 159.1
[M+Na-2H]- 228.111826 150.8
[M]+ 207.13661142 143.5
[M]- 207.13770858 143.5
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.