CID 88950

Einecs 244-452-9

Structural Information

Molecular Formula
C15H17NO4
SMILES
CCOCCOC(=O)NC1=CC=CC2=C1C=C(C=C2)O
InChI
InChI=1S/C15H17NO4/c1-2-19-8-9-20-15(18)16-14-5-3-4-11-6-7-12(17)10-13(11)14/h3-7,10,17H,2,8-9H2,1H3,(H,16,18)
InChIKey
WYRNZOUEDQCVFD-UHFFFAOYSA-N
Compound name
2-ethoxyethyl N-(7-hydroxynaphthalen-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11575 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 161.1
[M+Na]+ 298.10497 167.6
[M-H]- 274.10847 164.1
[M+NH4]+ 293.14957 177.4
[M+K]+ 314.07891 164.9
[M+H-H2O]+ 258.11301 154.0
[M+HCOO]- 320.11395 183.1
[M+CH3COO]- 334.12960 198.6
[M+Na-2H]- 296.09042 166.8
[M]+ 275.11520 164.4
[M]- 275.11630 164.4
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

No patent data available for this compound.