CID 63282422

2580208-70-2

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1C(CN1C2=NC=CC=N2)O
InChI
InChI=1S/C7H9N3O/c11-6-4-10(5-6)7-8-2-1-3-9-7/h1-3,6,11H,4-5H2
InChIKey
HICIOIMHKIQJLO-UHFFFAOYSA-N
Compound name
1-pyrimidin-2-ylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

151.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 128.4
[M+Na]+ 174.063768 135.7
[M-H]- 150.067274 129.6
[M+NH4]+ 169.108373 138.4
[M+K]+ 190.037708 136.5
[M+H-H2O]+ 134.071810 115.2
[M+HCOO]- 196.072751 146.6
[M+CH3COO]- 210.088401 175.9
[M+Na-2H]- 172.049216 136.1
[M]+ 151.07400142 134.8
[M]- 151.07509858 134.8
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