CID 89157773

1-(2-aminophenyl)-3-methylazetidin-3-ol

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC1(CN(C1)C2=CC=CC=C2N)O
InChI
InChI=1S/C10H14N2O/c1-10(13)6-12(7-10)9-5-3-2-4-8(9)11/h2-5,13H,6-7,11H2,1H3
InChIKey
BVDFJQINYIIRFU-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)-3-methylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 138.9
[M+Na]+ 201.09983 146.3
[M+NH4]+ 196.14443 144.6
[M+K]+ 217.07377 140.8
[M-H]- 177.10333 139.3
[M+Na-2H]- 199.08528 144.7
[M]+ 178.11006 138.9
[M]- 178.11116 138.9
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

patents stripe