CID 3665839

Methyl 3,4-dihydro-2h-1,4-benzoxazine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC(=O)C1CNC2=CC=CC=C2O1
InChI
InChI=1S/C10H11NO3/c1-13-10(12)9-6-11-7-4-2-3-5-8(7)14-9/h2-5,9,11H,6H2,1H3
InChIKey
HKOFHRITCCBESJ-UHFFFAOYSA-N
Compound name
methyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

193.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 139.1
[M+Na]+ 216.06312 146.0
[M-H]- 192.06662 141.2
[M+NH4]+ 211.10772 156.1
[M+K]+ 232.03706 145.0
[M+H-H2O]+ 176.07116 132.4
[M+HCOO]- 238.07210 156.5
[M+CH3COO]- 252.08775 179.2
[M+Na-2H]- 214.04857 146.6
[M]+ 193.07335 137.9
[M]- 193.07445 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe