CID 90105142

1-(5-aminopyridin-2-yl)-3-methylazetidin-3-ol

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC1(CN(C1)C2=NC=C(C=C2)N)O
InChI
InChI=1S/C9H13N3O/c1-9(13)5-12(6-9)8-3-2-7(10)4-11-8/h2-4,13H,5-6,10H2,1H3
InChIKey
YNDJCNXOJQMUQY-UHFFFAOYSA-N
Compound name
1-(5-amino-2-pyridinyl)-3-methylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

179.10587 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 140.9
[M+Na]+ 202.095088 148.1
[M-H]- 178.098594 143.5
[M+NH4]+ 197.139693 152.9
[M+K]+ 218.069028 148.4
[M+H-H2O]+ 162.103130 128.8
[M+HCOO]- 224.104071 160.1
[M+CH3COO]- 238.119721 183.7
[M+Na-2H]- 200.080536 146.9
[M]+ 179.10532142 146.5
[M]- 179.10641858 146.5
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

patents stripe