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
2
Annotation Hits

0
References

155
Patents

231.08954 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.096816 149.1
[M+Na]+ 254.078758 156.7
[M-H]- 230.082264 152.6
[M+NH4]+ 249.123363 167.3
[M+K]+ 270.052698 153.8
[M+H-H2O]+ 214.086800 142.7
[M+HCOO]- 276.087741 171.6
[M+CH3COO]- 290.103391 190.4
[M+Na-2H]- 252.064206 155.8
[M]+ 231.08899142 150.2
[M]- 231.09008858 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