CID 2795503

(3,4-dihydro-2h-1,4-benzoxazin-2-yl)methanol hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C(OC2=CC=CC=C2N1)CO
InChI
InChI=1S/C9H11NO2/c11-6-7-5-10-8-3-1-2-4-9(8)12-7/h1-4,7,10-11H,5-6H2
InChIKey
HDDDVYQKGVCTRM-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzoxazin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

165.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 132.7
[M+Na]+ 188.068198 139.7
[M-H]- 164.071704 133.5
[M+NH4]+ 183.112803 150.3
[M+K]+ 204.042138 137.4
[M+H-H2O]+ 148.076240 126.5
[M+HCOO]- 210.077181 149.5
[M+CH3COO]- 224.092831 144.8
[M+Na-2H]- 186.053646 141.4
[M]+ 165.07843142 129.2
[M]- 165.07952858 129.2
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