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 138.2
[M+Na]+ 220.04997 146.1
[M-H]- 196.05347 143.4
[M+NH4]+ 215.09457 153.1
[M+K]+ 236.02391 144.3
[M+H-H2O]+ 180.05801 129.1
[M+HCOO]- 242.05895 155.5
[M+CH3COO]- 256.07460 185.1
[M+Na-2H]- 218.03542 143.6
[M]+ 197.06020 145.2
[M]- 197.06130 145.2
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