CID 109788

Einecs 269-311-9

Structural Information

Molecular Formula
C13H13NO3
SMILES
CCOC(=O)NC1=CC=CC2=C1C=C(C=C2)O
InChI
InChI=1S/C13H13NO3/c1-2-17-13(16)14-12-5-3-4-9-6-7-10(15)8-11(9)12/h3-8,15H,2H2,1H3,(H,14,16)
InChIKey
KJADDPWIRVBKPZ-UHFFFAOYSA-N
Compound name
ethyl N-(7-hydroxynaphthalen-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

231.08954 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 149.1
[M+Na]+ 254.07876 156.7
[M-H]- 230.08226 152.6
[M+NH4]+ 249.12336 167.3
[M+K]+ 270.05270 153.8
[M+H-H2O]+ 214.08680 142.7
[M+HCOO]- 276.08774 171.6
[M+CH3COO]- 290.10339 190.4
[M+Na-2H]- 252.06421 155.8
[M]+ 231.08899 150.2
[M]- 231.09009 150.2
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