CID 115634

3-(2-propionamidophenoxy)-1,2-propanediol

Structural Information

Molecular Formula
C12H17NO4
SMILES
CCC(=O)NC1=CC=CC=C1OCC(CO)O
InChI
InChI=1S/C12H17NO4/c1-2-12(16)13-10-5-3-4-6-11(10)17-8-9(15)7-14/h3-6,9,14-15H,2,7-8H2,1H3,(H,13,16)
InChIKey
ARXVZERADZFHDC-UHFFFAOYSA-N
Compound name
N-[2-(2,3-dihydroxypropoxy)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11575 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 154.2
[M+Na]+ 262.10497 159.0
[M-H]- 238.10847 154.8
[M+NH4]+ 257.14957 169.9
[M+K]+ 278.07891 157.2
[M+H-H2O]+ 222.11301 147.6
[M+HCOO]- 284.11395 174.8
[M+CH3COO]- 298.12960 189.8
[M+Na-2H]- 260.09042 156.9
[M]+ 239.11520 154.7
[M]- 239.11630 154.7
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.