CID 65352720

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

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CC1C(C2COCCO2)N
InChI
InChI=1S/C8H15NO2/c9-8(6-1-2-6)7-5-10-3-4-11-7/h6-8H,1-5,9H2
InChIKey
CMGDXLIPLTXFAJ-UHFFFAOYSA-N
Compound name
cyclopropyl(1,4-dioxan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 132.9
[M+Na]+ 180.09950 138.8
[M-H]- 156.10300 140.6
[M+NH4]+ 175.14410 145.6
[M+K]+ 196.07344 140.0
[M+H-H2O]+ 140.10754 126.0
[M+HCOO]- 202.10848 151.8
[M+CH3COO]- 216.12413 180.6
[M+Na-2H]- 178.08495 139.3
[M]+ 157.10973 131.5
[M]- 157.11083 131.5
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

No patent data available for this compound.