CID 3048395

63905-27-1

Structural Information

Molecular Formula
C12H17NO4
SMILES
CC(C(COC1=CC=C(C=C1)NC(=O)C)O)O
InChI
InChI=1S/C12H17NO4/c1-8(14)12(16)7-17-11-5-3-10(4-6-11)13-9(2)15/h3-6,8,12,14,16H,7H2,1-2H3,(H,13,15)
InChIKey
OBNUTEJYDRDZQQ-UHFFFAOYSA-N
Compound name
N-[4-(2,3-dihydroxybutoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11575 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 154.5
[M+Na]+ 262.104968 159.1
[M-H]- 238.108474 155.2
[M+NH4]+ 257.149573 170.2
[M+K]+ 278.078908 157.8
[M+H-H2O]+ 222.113010 148.1
[M+HCOO]- 284.113951 174.1
[M+CH3COO]- 298.129601 190.8
[M+Na-2H]- 260.090416 155.9
[M]+ 239.11520142 154.4
[M]- 239.11629858 154.4
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.