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]+ 140.070596 124.0
[M+Na]+ 162.052538 132.5
[M-H]- 138.056044 126.5
[M+NH4]+ 157.097143 145.3
[M+K]+ 178.026478 131.2
[M+H-H2O]+ 122.060580 118.7
[M+HCOO]- 184.061521 144.0
[M+CH3COO]- 198.077171 138.0
[M+Na-2H]- 160.037986 131.6
[M]+ 139.06277142 121.7
[M]- 139.06386858 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