CID 170916372

1-{3,8-dioxabicyclo[3.2.1]octan-1-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CC2(COCC1O2)CN
InChI
InChI=1S/C7H13NO2/c8-4-7-2-1-6(10-7)3-9-5-7/h6H,1-5,8H2
InChIKey
DQSAUJWYXPNJNR-UHFFFAOYSA-N
Compound name
3,8-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

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 127.3
[M+Na]+ 166.08386 133.4
[M-H]- 142.08736 130.4
[M+NH4]+ 161.12846 150.7
[M+K]+ 182.05780 134.5
[M+H-H2O]+ 126.09190 123.1
[M+HCOO]- 188.09284 146.0
[M+CH3COO]- 202.10849 173.2
[M+Na-2H]- 164.06931 136.6
[M]+ 143.09409 124.9
[M]- 143.09519 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.