CID 3017963

69828-78-0

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2NCC(CO)O
InChI
InChI=1S/C13H15NO2/c15-9-11(16)8-14-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-16H,8-9H2
InChIKey
FFDICKQFLGMKFP-UHFFFAOYSA-N
Compound name
3-(naphthalen-1-ylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 146.9
[M+Na]+ 240.099498 152.8
[M-H]- 216.103004 148.5
[M+NH4]+ 235.144103 164.7
[M+K]+ 256.073438 148.9
[M+H-H2O]+ 200.107540 140.7
[M+HCOO]- 262.108481 167.5
[M+CH3COO]- 276.124131 186.7
[M+Na-2H]- 238.084946 153.8
[M]+ 217.10973142 145.2
[M]- 217.11082858 145.2
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