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]+ 192.13829 145.9
[M+Na]+ 214.12023 151.3
[M-H]- 190.12373 148.5
[M+NH4]+ 209.16483 158.3
[M+K]+ 230.09417 150.9
[M+H-H2O]+ 174.12827 135.0
[M+HCOO]- 236.12921 162.7
[M+CH3COO]- 250.14486 182.9
[M+Na-2H]- 212.10568 150.1
[M]+ 191.13046 151.0
[M]- 191.13156 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.