CID 95498243

3-amino-3-(4-chlorophenyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C10H12ClNO
SMILES
C1C(CC1(C2=CC=C(C=C2)Cl)N)O
InChI
InChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10(12)5-9(13)6-10/h1-4,9,13H,5-6,12H2
InChIKey
GXYJVPQFSRJBFI-UHFFFAOYSA-N
Compound name
3-amino-3-(4-chlorophenyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

197.06075 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 137.1
[M+Na]+ 220.04997 145.7
[M+NH4]+ 215.09457 143.9
[M+K]+ 236.02391 139.2
[M-H]- 196.05347 138.4
[M+Na-2H]- 218.03542 143.7
[M]+ 197.06020 137.9
[M]- 197.06130 137.9
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