CID 56461

6-(2-(cyclopropylamino)ethyl)-3-methyl-2(3h)-benzoxazolone hydrobromide

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CN1C2=C(C=C(C=C2)CCNC3CC3)OC1=O
InChI
InChI=1S/C13H16N2O2/c1-15-11-5-2-9(6-7-14-10-3-4-10)8-12(11)17-13(15)16/h2,5,8,10,14H,3-4,6-7H2,1H3
InChIKey
XABGOKCDKXBVHU-UHFFFAOYSA-N
Compound name
6-[2-(cyclopropylamino)ethyl]-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 150.9
[M+Na]+ 255.11041 163.0
[M-H]- 231.11391 159.4
[M+NH4]+ 250.15501 164.6
[M+K]+ 271.08435 158.9
[M+H-H2O]+ 215.11845 143.8
[M+HCOO]- 277.11939 175.5
[M+CH3COO]- 291.13504 164.6
[M+Na-2H]- 253.09586 157.7
[M]+ 232.12064 157.8
[M]- 232.12174 157.8
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.