CID 21887239

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

Structural Information

Molecular Formula
C8H9NO
SMILES
C1C2=CC=CC=C2CON1
InChI
InChI=1S/C8H9NO/c1-2-4-8-6-10-9-5-7(8)3-1/h1-4,9H,5-6H2
InChIKey
QHSWXOMNNUSGTH-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-2,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

135.06842 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 124.1
[M+Na]+ 158.05764 131.1
[M-H]- 134.06114 126.1
[M+NH4]+ 153.10224 143.4
[M+K]+ 174.03158 129.5
[M+H-H2O]+ 118.06568 117.9
[M+HCOO]- 180.06662 142.6
[M+CH3COO]- 194.08227 137.2
[M+Na-2H]- 156.04309 134.6
[M]+ 135.06787 120.3
[M]- 135.06897 120.3
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