CID 65918604

2445792-67-4

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=CC(=CC=C1)C2(CNC2)O
InChI
InChI=1S/C10H13NO/c1-8-3-2-4-9(5-8)10(12)6-11-7-10/h2-5,11-12H,6-7H2,1H3
InChIKey
MLUFCQWSDLUMNP-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 135.0
[M+Na]+ 186.08894 141.6
[M-H]- 162.09244 137.9
[M+NH4]+ 181.13354 148.7
[M+K]+ 202.06288 141.2
[M+H-H2O]+ 146.09698 124.5
[M+HCOO]- 208.09792 153.6
[M+CH3COO]- 222.11357 176.2
[M+Na-2H]- 184.07439 141.7
[M]+ 163.09917 140.1
[M]- 163.10027 140.1
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

No patent data available for this compound.