CID 21341

1-naphthyl (hydroxymethyl)carbamate

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)NCO
InChI
InChI=1S/C12H11NO3/c14-8-13-12(15)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,14H,8H2,(H,13,15)
InChIKey
OBFZZQGUNWTREB-UHFFFAOYSA-N
Compound name
naphthalen-1-yl N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.3
[M+Na]+ 240.06312 151.5
[M-H]- 216.06662 147.6
[M+NH4]+ 235.10772 162.9
[M+K]+ 256.03706 148.7
[M+H-H2O]+ 200.07116 137.9
[M+HCOO]- 262.07210 167.2
[M+CH3COO]- 276.08775 186.1
[M+Na-2H]- 238.04857 152.3
[M]+ 217.07335 144.7
[M]- 217.07445 144.7
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