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]+ 257.068736 154.2
[M+Na]+ 279.050678 161.9
[M-H]- 255.054184 157.1
[M+NH4]+ 274.095283 169.9
[M+K]+ 295.024618 159.3
[M+H-H2O]+ 239.058720 147.6
[M+HCOO]- 301.059661 168.5
[M+CH3COO]- 315.075311 194.1
[M+Na-2H]- 277.036126 159.7
[M]+ 256.06091142 155.9
[M]- 256.06200858 155.9
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.