CID 67033532

(6,6-dimethyl-1,4-dioxan-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC1(COCC(O1)CN)C
InChI
InChI=1S/C7H15NO2/c1-7(2)5-9-4-6(3-8)10-7/h6H,3-5,8H2,1-2H3
InChIKey
WNXXIZJLBHJTQN-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-1,4-dioxan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

145.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 131.1
[M+Na]+ 168.09950 137.4
[M-H]- 144.10300 135.4
[M+NH4]+ 163.14410 151.5
[M+K]+ 184.07344 139.3
[M+H-H2O]+ 128.10754 126.4
[M+HCOO]- 190.10848 150.9
[M+CH3COO]- 204.12413 175.3
[M+Na-2H]- 166.08495 139.1
[M]+ 145.10973 129.1
[M]- 145.11083 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