CID 60300

109184-80-7

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CC1=CC=CC=C1OCC(COC(=O)NCCN)O
InChI
InChI=1S/C13H20N2O4/c1-10-4-2-3-5-12(10)18-8-11(16)9-19-13(17)15-7-6-14/h2-5,11,16H,6-9,14H2,1H3,(H,15,17)
InChIKey
PCMOPIGRIPMXGA-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.149576 162.3
[M+Na]+ 291.131518 166.3
[M-H]- 267.135024 163.5
[M+NH4]+ 286.176123 177.0
[M+K]+ 307.105458 164.9
[M+H-H2O]+ 251.139560 154.8
[M+HCOO]- 313.140501 184.5
[M+CH3COO]- 327.156151 199.3
[M+Na-2H]- 289.116966 164.3
[M]+ 268.14175142 163.2
[M]- 268.14284858 163.2
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.