CID 3032626

Richter

Structural Information

Molecular Formula
C13H18N2O
SMILES
C[C@@H](C(=O)NC1CCC2=CC=CC=C2C1)N
InChI
InChI=1S/C13H18N2O/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8,14H2,1H3,(H,15,16)/t9-,12?/m0/s1
InChIKey
DSSRNNGLLCLIPR-QHGLUPRGSA-N
Compound name
(2S)-2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

218.1419 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.2
[M+Na]+ 241.13112 159.9
[M+NH4]+ 236.17572 158.8
[M+K]+ 257.10506 154.0
[M-H]- 217.13462 153.5
[M+Na-2H]- 239.11657 155.1
[M]+ 218.14135 152.2
[M]- 218.14245 152.2
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