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]+ 194.08118 137.8
[M+Na]+ 216.06312 148.1
[M-H]- 192.06662 140.0
[M+NH4]+ 211.10772 156.6
[M+K]+ 232.03706 145.6
[M+H-H2O]+ 176.07116 132.3
[M+HCOO]- 238.07210 158.7
[M+CH3COO]- 252.08775 177.5
[M+Na-2H]- 214.04857 144.3
[M]+ 193.07335 140.2
[M]- 193.07445 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.