CID 76222995

6-chloro-1,2,3,4-tetrahydronaphthalen-1-amine

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CC(C2=C(C1)C=C(C=C2)Cl)N
InChI
InChI=1S/C10H12ClN/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,10H,1-3,12H2
InChIKey
MBBWLMFFVWVGIC-UHFFFAOYSA-N
Compound name
6-chloro-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 136.4
[M+Na]+ 204.055048 144.7
[M-H]- 180.058554 140.2
[M+NH4]+ 199.099653 158.1
[M+K]+ 220.028988 139.8
[M+H-H2O]+ 164.063090 131.7
[M+HCOO]- 226.064031 153.5
[M+CH3COO]- 240.079681 149.6
[M+Na-2H]- 202.040496 142.8
[M]+ 181.06528142 133.7
[M]- 181.06637858 133.7
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