CID 27702

Chromanyl-8 n-methylcarbamate

Structural Information

Molecular Formula
C11H13NO3
SMILES
CNC(=O)OC1=CC=CC2=C1OCCC2
InChI
InChI=1S/C11H13NO3/c1-12-11(13)15-9-6-2-4-8-5-3-7-14-10(8)9/h2,4,6H,3,5,7H2,1H3,(H,12,13)
InChIKey
PMBSJQIGLMSEKN-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-8-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 142.7
[M+Na]+ 230.078758 148.8
[M-H]- 206.082264 147.5
[M+NH4]+ 225.123363 161.0
[M+K]+ 246.052698 148.5
[M+H-H2O]+ 190.086800 136.2
[M+HCOO]- 252.087741 163.7
[M+CH3COO]- 266.103391 186.3
[M+Na-2H]- 228.064206 150.6
[M]+ 207.08899142 142.4
[M]- 207.09008858 142.4
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

patents stripe