CID 83815025

(2-methyl-1,4-dioxan-2-yl)methanamine

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC1(COCCO1)CN
InChI
InChI=1S/C6H13NO2/c1-6(4-7)5-8-2-3-9-6/h2-5,7H2,1H3
InChIKey
MTRDYWVARZKFSD-UHFFFAOYSA-N
Compound name
(2-methyl-1,4-dioxan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

131.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.0
[M+Na]+ 154.08386 137.1
[M+NH4]+ 149.12846 136.9
[M+K]+ 170.05780 130.9
[M-H]- 130.08736 131.6
[M+Na-2H]- 152.06931 132.7
[M]+ 131.09409 129.7
[M]- 131.09519 129.7
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