CID 70201998

(2-phenyl-1,4-dioxan-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
C1COC(CO1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO2/c12-8-11(9-13-6-7-14-11)10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKey
IUSHZEZOKQKYCP-UHFFFAOYSA-N
Compound name
(2-phenyl-1,4-dioxan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.11028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 142.7
[M+Na]+ 216.09950 147.8
[M-H]- 192.10300 149.6
[M+NH4]+ 211.14410 160.3
[M+K]+ 232.07344 148.1
[M+H-H2O]+ 176.10754 135.9
[M+HCOO]- 238.10848 162.8
[M+CH3COO]- 252.12413 182.0
[M+Na-2H]- 214.08495 151.4
[M]+ 193.10973 139.2
[M]- 193.11083 139.2
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

patents stripe