CID 53402090

3-amino-3-(4-bromophenyl)cyclobutan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1C(CC1(C2=CC=C(C=C2)Br)N)O
InChI
InChI=1S/C10H12BrNO/c11-8-3-1-7(2-4-8)10(12)5-9(13)6-10/h1-4,9,13H,5-6,12H2
InChIKey
BRHRYGHDIMFVQX-UHFFFAOYSA-N
Compound name
3-amino-3-(4-bromophenyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.01022 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 139.2
[M+Na]+ 263.99944 148.7
[M-H]- 240.00294 146.8
[M+NH4]+ 259.04404 155.1
[M+K]+ 279.97338 140.2
[M+H-H2O]+ 224.00748 134.9
[M+HCOO]- 286.00842 158.4
[M+CH3COO]- 300.02407 191.2
[M+Na-2H]- 261.98489 146.1
[M]+ 241.00967 162.0
[M]- 241.01077 162.0
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

patents stripe