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]+ 198.068026 138.2
[M+Na]+ 220.049968 146.1
[M-H]- 196.053474 143.4
[M+NH4]+ 215.094573 153.1
[M+K]+ 236.023908 144.3
[M+H-H2O]+ 180.058010 129.1
[M+HCOO]- 242.058951 155.5
[M+CH3COO]- 256.074601 185.1
[M+Na-2H]- 218.035416 143.6
[M]+ 197.06020142 145.2
[M]- 197.06129858 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