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

0
Patents

207.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 142.7
[M+Na]+ 230.07876 148.8
[M-H]- 206.08226 147.5
[M+NH4]+ 225.12336 161.0
[M+K]+ 246.05270 148.5
[M+H-H2O]+ 190.08680 136.2
[M+HCOO]- 252.08774 163.7
[M+CH3COO]- 266.10339 186.3
[M+Na-2H]- 228.06421 150.6
[M]+ 207.08899 142.4
[M]- 207.09009 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