CID 391462

Nsc690667

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC(CN1C2=CC=CC=C2OC1=O)N(C)C
InChI
InChI=1S/C12H16N2O2/c1-9(13(2)3)8-14-10-6-4-5-7-11(10)16-12(14)15/h4-7,9H,8H2,1-3H3
InChIKey
OIULJRMKDMLGCS-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)propyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 147.8
[M+Na]+ 243.11041 157.4
[M-H]- 219.11391 153.9
[M+NH4]+ 238.15501 167.3
[M+K]+ 259.08435 157.0
[M+H-H2O]+ 203.11845 141.0
[M+HCOO]- 265.11939 172.4
[M+CH3COO]- 279.13504 194.9
[M+Na-2H]- 241.09586 153.8
[M]+ 220.12064 153.7
[M]- 220.12174 153.7
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

No patent data available for this compound.