CID 41228

54903-18-3

Structural Information

Molecular Formula
C10H11NO3
SMILES
CCC(C1=CC2=C(C=C1)NC(=O)O2)O
InChI
InChI=1S/C10H11NO3/c1-2-8(12)6-3-4-7-9(5-6)14-10(13)11-7/h3-5,8,12H,2H2,1H3,(H,11,13)
InChIKey
PBCZFSGREIJADI-UHFFFAOYSA-N
Compound name
6-(1-hydroxypropyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 137.8
[M+Na]+ 216.063118 148.1
[M-H]- 192.066624 140.0
[M+NH4]+ 211.107723 156.6
[M+K]+ 232.037058 145.6
[M+H-H2O]+ 176.071160 132.3
[M+HCOO]- 238.072101 158.7
[M+CH3COO]- 252.087751 177.5
[M+Na-2H]- 214.048566 144.3
[M]+ 193.07335142 140.2
[M]- 193.07444858 140.2
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.