CID 53256947

1-(2-chlorophenyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CC(C1)(C2=CC=CC=C2Cl)N
InChI
InChI=1S/C10H12ClN/c11-9-5-2-1-4-8(9)10(12)6-3-7-10/h1-2,4-5H,3,6-7,12H2
InChIKey
BUQNXOFUXDRKGQ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

181.06583 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07311 134.2
[M+Na]+ 204.05505 141.8
[M-H]- 180.05855 140.4
[M+NH4]+ 199.09965 150.2
[M+K]+ 220.02899 140.2
[M+H-H2O]+ 164.06309 124.8
[M+HCOO]- 226.06403 152.8
[M+CH3COO]- 240.07968 184.5
[M+Na-2H]- 202.04050 140.9
[M]+ 181.06528 141.3
[M]- 181.06638 141.3
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