CID 66325

(s)-(-)-1-(1-naphthyl)ethylamine

Structural Information

Molecular Formula
C12H13N
SMILES
C[C@@H](C1=CC=CC2=CC=CC=C21)N
InChI
InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m0/s1
InChIKey
RTCUCQWIICFPOD-VIFPVBQESA-N
Compound name
(1S)-1-naphthalen-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

4841
Patents

171.1048 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11208 136.0
[M+Na]+ 194.09402 143.5
[M-H]- 170.09752 140.2
[M+NH4]+ 189.13862 157.1
[M+K]+ 210.06796 140.1
[M+H-H2O]+ 154.10206 130.1
[M+HCOO]- 216.10300 159.0
[M+CH3COO]- 230.11865 183.9
[M+Na-2H]- 192.07947 143.4
[M]+ 171.10425 133.8
[M]- 171.10535 133.8
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