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 149.5
[M+Na]+ 241.13112 153.5
[M-H]- 217.13462 152.6
[M+NH4]+ 236.17572 167.9
[M+K]+ 257.10506 150.8
[M+H-H2O]+ 201.13916 142.8
[M+HCOO]- 263.14010 169.5
[M+CH3COO]- 277.15575 194.1
[M+Na-2H]- 239.11657 153.4
[M]+ 218.14135 144.1
[M]- 218.14245 144.1
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