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-aminopyridin-2-yl)-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]+ 180.11315 140.9
[M+Na]+ 202.09509 148.1
[M-H]- 178.09859 143.5
[M+NH4]+ 197.13969 152.9
[M+K]+ 218.06903 148.4
[M+H-H2O]+ 162.10313 128.8
[M+HCOO]- 224.10407 160.1
[M+CH3COO]- 238.11972 183.7
[M+Na-2H]- 200.08054 146.9
[M]+ 179.10532 146.5
[M]- 179.10642 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