CID 167715577

1-{3,7,9-trioxabicyclo[3.3.1]nonan-1-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1C2COCC(O2)(CO1)CN
InChI
InChI=1S/C7H13NO3/c8-3-7-4-9-1-6(11-7)2-10-5-7/h6H,1-5,8H2
InChIKey
PWCYXUTVPUIKBB-UHFFFAOYSA-N
Compound name
3,7,9-trioxabicyclo[3.3.1]nonan-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 131.1
[M+Na]+ 182.07876 136.3
[M-H]- 158.08226 134.7
[M+NH4]+ 177.12336 150.6
[M+K]+ 198.05270 139.1
[M+H-H2O]+ 142.08680 125.9
[M+HCOO]- 204.08774 146.8
[M+CH3COO]- 218.10339 176.2
[M+Na-2H]- 180.06421 142.5
[M]+ 159.08899 128.7
[M]- 159.09009 128.7
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

No patent data available for this compound.