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

4
Patents

193.11028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.7
[M+Na]+ 216.099498 147.8
[M-H]- 192.103004 149.6
[M+NH4]+ 211.144103 160.3
[M+K]+ 232.073438 148.1
[M+H-H2O]+ 176.107540 135.9
[M+HCOO]- 238.108481 162.8
[M+CH3COO]- 252.124131 182.0
[M+Na-2H]- 214.084946 151.4
[M]+ 193.10973142 139.2
[M]- 193.11082858 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