CID 21956

5721-72-2

Structural Information

Molecular Formula
C12H11NO3
SMILES
CNC(=O)OC1=CC=CC2=C1C=CC=C2O
InChI
InChI=1S/C12H11NO3/c1-13-12(15)16-11-7-3-4-8-9(11)5-2-6-10(8)14/h2-7,14H,1H3,(H,13,15)
InChIKey
MDIMSJGGKSUKJZ-UHFFFAOYSA-N
Compound name
(5-hydroxynaphthalen-1-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

217.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.4
[M+Na]+ 240.06312 152.5
[M-H]- 216.06662 148.1
[M+NH4]+ 235.10772 163.2
[M+K]+ 256.03706 149.8
[M+H-H2O]+ 200.07116 138.2
[M+HCOO]- 262.07210 167.2
[M+CH3COO]- 276.08775 187.4
[M+Na-2H]- 238.04857 151.6
[M]+ 217.07335 145.2
[M]- 217.07445 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

literature stripe

Patent stripe

patents stripe