CID 43632381

3-(2-chlorophenyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1C(CC1N)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H12ClN/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8H,5-6,12H2
InChIKey
SSRHWVLCHOELCJ-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.06583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.073106 133.1
[M+Na]+ 204.055048 140.7
[M-H]- 180.058554 139.2
[M+NH4]+ 199.099653 147.4
[M+K]+ 220.028988 139.2
[M+H-H2O]+ 164.063090 122.8
[M+HCOO]- 226.064031 151.7
[M+CH3COO]- 240.079681 186.0
[M+Na-2H]- 202.040496 138.2
[M]+ 181.06528142 140.3
[M]- 181.06637858 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

No patent data available for this compound.