CID 137952122

Methyl 3-amino-3-(4-hydroxyphenyl)cyclobutane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC(=O)C1CC(C1)(C2=CC=C(C=C2)O)N
InChI
InChI=1S/C12H15NO3/c1-16-11(15)8-6-12(13,7-8)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7,13H2,1H3
InChIKey
XLKUOANEGCLRSZ-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-(4-hydroxyphenyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 150.6
[M+Na]+ 244.09442 156.1
[M-H]- 220.09792 155.6
[M+NH4]+ 239.13902 163.1
[M+K]+ 260.06836 157.1
[M+H-H2O]+ 204.10246 139.6
[M+HCOO]- 266.10340 170.9
[M+CH3COO]- 280.11905 190.8
[M+Na-2H]- 242.07987 153.7
[M]+ 221.10465 157.6
[M]- 221.10575 157.6
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.