CID 22456202

1-(4-chlorophenyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CC(C1)(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C10H12ClN/c11-9-4-2-8(3-5-9)10(12)6-1-7-10/h2-5H,1,6-7,12H2
InChIKey
BIUYXIXKGQWDNE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

181.06583 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.073106 134.2
[M+Na]+ 204.055048 141.8
[M-H]- 180.058554 140.4
[M+NH4]+ 199.099653 150.2
[M+K]+ 220.028988 140.2
[M+H-H2O]+ 164.063090 124.8
[M+HCOO]- 226.064031 152.8
[M+CH3COO]- 240.079681 184.5
[M+Na-2H]- 202.040496 140.9
[M]+ 181.06528142 141.3
[M]- 181.06637858 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