CID 65921284

1472706-57-2

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC1=CC=C(C=C1)C2(CN(C2)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C15H21NO3/c1-11-5-7-12(8-6-11)15(18)9-16(10-15)13(17)19-14(2,3)4/h5-8,18H,9-10H2,1-4H3
InChIKey
CDEGRNLYLWHHHN-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-3-(4-methylphenyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 163.4
[M+Na]+ 286.14135 169.2
[M-H]- 262.14485 167.5
[M+NH4]+ 281.18595 174.0
[M+K]+ 302.11529 170.3
[M+H-H2O]+ 246.14939 152.4
[M+HCOO]- 308.15033 179.6
[M+CH3COO]- 322.16598 196.9
[M+Na-2H]- 284.12680 166.8
[M]+ 263.15158 173.1
[M]- 263.15268 173.1
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

patents stripe