CID 43632392

3-(3-chlorophenyl)cyclobutan-1-amine

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1C(CC1N)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H12ClN/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8,10H,5-6,12H2
InChIKey
CJAGMOBAPVWUER-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.06583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07311 133.1
[M+Na]+ 204.05505 140.7
[M-H]- 180.05855 139.2
[M+NH4]+ 199.09965 147.4
[M+K]+ 220.02899 139.2
[M+H-H2O]+ 164.06309 122.8
[M+HCOO]- 226.06403 151.7
[M+CH3COO]- 240.07968 186.0
[M+Na-2H]- 202.04050 138.2
[M]+ 181.06528 140.3
[M]- 181.06638 140.3
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