CID 64083687

3-methyl-6-[(methylamino)methyl]-2,3-dihydro-1,3-benzoxazol-2-one hydrochloride

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CNCC1=CC2=C(C=C1)N(C(=O)O2)C
InChI
InChI=1S/C10H12N2O2/c1-11-6-7-3-4-8-9(5-7)14-10(13)12(8)2/h3-5,11H,6H2,1-2H3
InChIKey
VGLRPMOPZSCYJJ-UHFFFAOYSA-N
Compound name
3-methyl-6-(methylaminomethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 137.5
[M+Na]+ 215.07909 149.1
[M-H]- 191.08259 142.7
[M+NH4]+ 210.12369 157.9
[M+K]+ 231.05303 147.3
[M+H-H2O]+ 175.08713 131.4
[M+HCOO]- 237.08807 163.2
[M+CH3COO]- 251.10372 185.7
[M+Na-2H]- 213.06454 145.8
[M]+ 192.08932 142.5
[M]- 192.09042 142.5
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.