CID 122334

85379-09-5

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCN[C@@H]1CCC2=C([C@@H]1C)C=CC=C2OC
InChI
InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1
InChIKey
YGHLYBIUVOLKCV-SMDDNHRTSA-N
Compound name
(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

37
Patents

233.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 155.0
[M+Na]+ 256.167178 161.1
[M-H]- 232.170684 159.0
[M+NH4]+ 251.211783 174.2
[M+K]+ 272.141118 157.9
[M+H-H2O]+ 216.175220 148.4
[M+HCOO]- 278.176161 175.8
[M+CH3COO]- 292.191811 197.8
[M+Na-2H]- 254.152626 159.5
[M]+ 233.17741142 154.8
[M]- 233.17850858 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe