CID 11018942

4,5,6,7-tetrahydro-2,1-benzoxazol-3-ol

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CCC2=C(C1)C(=O)ON2
InChI
InChI=1S/C7H9NO2/c9-7-5-3-1-2-4-6(5)8-10-7/h8H,1-4H2
InChIKey
UJWAMIBMUKCTKD-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-2,1-benzoxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

139.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 124.0
[M+Na]+ 162.05254 132.5
[M-H]- 138.05604 126.5
[M+NH4]+ 157.09714 145.3
[M+K]+ 178.02648 131.2
[M+H-H2O]+ 122.06058 118.7
[M+HCOO]- 184.06152 144.0
[M+CH3COO]- 198.07717 138.0
[M+Na-2H]- 160.03799 131.6
[M]+ 139.06277 121.7
[M]- 139.06387 121.7
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

patents stripe