CID 602319

Methyl n-(2-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC1=CC=CC=C1NC(=O)OC
InChI
InChI=1S/C9H11NO3/c1-12-8-6-4-3-5-7(8)10-9(11)13-2/h3-6H,1-2H3,(H,10,11)
InChIKey
MDPQDILMAPHQQT-UHFFFAOYSA-N
Compound name
methyl N-(2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

181.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.4
[M+Na]+ 204.06312 144.0
[M-H]- 180.06662 140.5
[M+NH4]+ 199.10772 156.3
[M+K]+ 220.03706 143.5
[M+H-H2O]+ 164.07116 130.3
[M+HCOO]- 226.07210 162.0
[M+CH3COO]- 240.08775 182.0
[M+Na-2H]- 202.04857 143.0
[M]+ 181.07335 138.8
[M]- 181.07445 138.8
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