CID 54680

80985-74-6

Structural Information

Molecular Formula
C12H17NO4
SMILES
CC1=CC=CC=C1OCC(COC(=O)NC)O
InChI
InChI=1S/C12H17NO4/c1-9-5-3-4-6-11(9)16-7-10(14)8-17-12(15)13-2/h3-6,10,14H,7-8H2,1-2H3,(H,13,15)
InChIKey
XLAPNRXPYORQOS-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylphenoxy)propyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 154.3
[M+Na]+ 262.10497 163.6
[M+NH4]+ 257.14957 160.3
[M+K]+ 278.07891 159.4
[M-H]- 238.10847 154.5
[M+Na-2H]- 260.09042 158.3
[M]+ 239.11520 155.3
[M]- 239.11630 155.3
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

No patent data available for this compound.