CID 67033327

(5,5-dimethyl-1,4-dioxan-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC1(COC(CO1)CN)C
InChI
InChI=1S/C7H15NO2/c1-7(2)5-9-6(3-8)4-10-7/h6H,3-5,8H2,1-2H3
InChIKey
YZTHKQHXMCWPBH-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-1,4-dioxan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

145.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 131.1
[M+Na]+ 168.099498 137.4
[M-H]- 144.103004 135.4
[M+NH4]+ 163.144103 151.5
[M+K]+ 184.073438 139.3
[M+H-H2O]+ 128.107540 126.4
[M+HCOO]- 190.108481 150.9
[M+CH3COO]- 204.124131 175.3
[M+Na-2H]- 166.084946 139.1
[M]+ 145.10973142 129.1
[M]- 145.11082858 129.1
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