CID 49922

67510-83-2

Structural Information

Molecular Formula
C14H20ClNO
SMILES
COC1=CC2=C(CC(CC2)NCCCCl)C=C1
InChI
InChI=1S/C14H20ClNO/c1-17-14-6-4-11-9-13(16-8-2-7-15)5-3-12(11)10-14/h4,6,10,13,16H,2-3,5,7-9H2,1H3
InChIKey
MJJRTPKDXFPIIO-UHFFFAOYSA-N
Compound name
N-(3-chloropropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12334 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13062 157.4
[M+Na]+ 276.11256 163.8
[M-H]- 252.11606 160.9
[M+NH4]+ 271.15716 176.4
[M+K]+ 292.08650 158.9
[M+H-H2O]+ 236.12060 151.5
[M+HCOO]- 298.12154 174.0
[M+CH3COO]- 312.13719 197.4
[M+Na-2H]- 274.09801 162.6
[M]+ 253.12279 158.6
[M]- 253.12389 158.6
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.