CID 20114810

4-(2-aminoethyl)-3,4-dihydro-2h-1,4-benzoxazin-3-one hydrochloride

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1C(=O)N(C2=CC=CC=C2O1)CCN
InChI
InChI=1S/C10H12N2O2/c11-5-6-12-8-3-1-2-4-9(8)14-7-10(12)13/h1-4H,5-7,11H2
InChIKey
KOYVJBYLIWQFLR-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

192.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 140.0
[M+Na]+ 215.07909 147.8
[M-H]- 191.08259 143.2
[M+NH4]+ 210.12369 157.5
[M+K]+ 231.05303 146.0
[M+H-H2O]+ 175.08713 132.9
[M+HCOO]- 237.08807 160.1
[M+CH3COO]- 251.10372 184.8
[M+Na-2H]- 213.06454 147.7
[M]+ 192.08932 138.6
[M]- 192.09042 138.6
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