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]+ 222.112476 150.6
[M+Na]+ 244.094418 156.1
[M-H]- 220.097924 155.6
[M+NH4]+ 239.139023 163.1
[M+K]+ 260.068358 157.1
[M+H-H2O]+ 204.102460 139.6
[M+HCOO]- 266.103401 170.9
[M+CH3COO]- 280.119051 190.8
[M+Na-2H]- 242.079866 153.7
[M]+ 221.10465142 157.6
[M]- 221.10574858 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.