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]+ 240.123026 154.1
[M+Na]+ 262.104968 159.4
[M-H]- 238.108474 156.1
[M+NH4]+ 257.149573 170.6
[M+K]+ 278.078908 158.5
[M+H-H2O]+ 222.113010 147.3
[M+HCOO]- 284.113951 176.2
[M+CH3COO]- 298.129601 191.6
[M+Na-2H]- 260.090416 157.3
[M]+ 239.11520142 156.4
[M]- 239.11629858 156.4
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

No patent data available for this compound.