CID 165988369

1-{3,6-dioxabicyclo[3.2.1]octan-1-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1C2COCC1(CO2)CN
InChI
InChI=1S/C7H13NO2/c8-3-7-1-6(10-5-7)2-9-4-7/h6H,1-5,8H2
InChIKey
UHWSRJTZZCWJDX-UHFFFAOYSA-N
Compound name
3,6-dioxabicyclo[3.2.1]octan-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 127.3
[M+Na]+ 166.083858 133.4
[M-H]- 142.087364 130.4
[M+NH4]+ 161.128463 150.7
[M+K]+ 182.057798 134.5
[M+H-H2O]+ 126.091900 123.1
[M+HCOO]- 188.092841 146.0
[M+CH3COO]- 202.108491 173.2
[M+Na-2H]- 164.069306 136.6
[M]+ 143.09409142 124.9
[M]- 143.09518858 124.9
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.