CID 65921294

3-[4-(propan-2-yl)phenyl]azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C)C1=CC=C(C=C1)C2(CNC2)O
InChI
InChI=1S/C12H17NO/c1-9(2)10-3-5-11(6-4-10)12(14)7-13-8-12/h3-6,9,13-14H,7-8H2,1-2H3
InChIKey
CXLKWQHXPBDCDT-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 145.9
[M+Na]+ 214.120228 151.3
[M-H]- 190.123734 148.5
[M+NH4]+ 209.164833 158.3
[M+K]+ 230.094168 150.9
[M+H-H2O]+ 174.128270 135.0
[M+HCOO]- 236.129211 162.7
[M+CH3COO]- 250.144861 182.9
[M+Na-2H]- 212.105676 150.1
[M]+ 191.13046142 151.0
[M]- 191.13155858 151.0
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.