CID 30457

Brn 1127628

Structural Information

Molecular Formula
C11H13ClN2O3
SMILES
C1C2=C(CON1CCOC(=O)N)C=C(C=C2)Cl
InChI
InChI=1S/C11H13ClN2O3/c12-10-2-1-8-6-14(3-4-16-11(13)15)17-7-9(8)5-10/h1-2,5H,3-4,6-7H2,(H2,13,15)
InChIKey
LZRSJRREUJZNLN-UHFFFAOYSA-N
Compound name
2-(7-chloro-1,4-dihydro-2,3-benzoxazin-3-yl)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06146 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06874 153.4
[M+Na]+ 279.05068 165.6
[M+NH4]+ 274.09528 161.0
[M+K]+ 295.02462 159.8
[M-H]- 255.05418 156.2
[M+Na-2H]- 277.03613 157.5
[M]+ 256.06091 156.0
[M]- 256.06201 156.0
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.