CID 67016260

1-(4-aminophenyl)-3-methyl-3-azetidinol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

178.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.117886 140.2
[M+Na]+ 201.099828 147.0
[M-H]- 177.103334 144.2
[M+NH4]+ 196.144433 153.5
[M+K]+ 217.073768 147.2
[M+H-H2O]+ 161.107870 128.9
[M+HCOO]- 223.108811 160.4
[M+CH3COO]- 237.124461 183.9
[M+Na-2H]- 199.085276 145.7
[M]+ 178.11006142 145.7
[M]- 178.11115858 145.7
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