CID 28150

1,2-propanediol, 3-(o-tolyloxy)-, carbazate

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC1=CC=CC=C1OCC(COC(=O)NN)O
InChI
InChI=1S/C11H16N2O4/c1-8-4-2-3-5-10(8)16-6-9(14)7-17-11(15)13-12/h2-5,9,14H,6-7,12H2,1H3,(H,13,15)
InChIKey
HHAIMVTZQIZEAD-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylphenoxy)propyl] N-aminocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 153.3
[M+Na]+ 263.10023 158.1
[M-H]- 239.10373 154.9
[M+NH4]+ 258.14483 169.1
[M+K]+ 279.07417 157.1
[M+H-H2O]+ 223.10827 146.2
[M+HCOO]- 285.10921 176.2
[M+CH3COO]- 299.12486 193.3
[M+Na-2H]- 261.08568 156.3
[M]+ 240.11046 153.4
[M]- 240.11156 153.4
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.