CID 59379629

6-(aminomethyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CN1C2=C(C=C(C=C2)CN)OC1=O
InChI
InChI=1S/C9H10N2O2/c1-11-7-3-2-6(5-10)4-8(7)13-9(11)12/h2-4H,5,10H2,1H3
InChIKey
XNYQTDQCTDELDM-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

178.07423 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 133.6
[M+Na]+ 201.06345 147.3
[M+NH4]+ 196.10805 141.9
[M+K]+ 217.03739 143.5
[M-H]- 177.06695 136.9
[M+Na-2H]- 199.04890 139.4
[M]+ 178.07368 136.4
[M]- 178.07478 136.4
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

patents stripe