CID 130818373

(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-amine hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CC([C@@H]2OC[C@H]1O2)N
InChI
InChI=1S/C6H11NO2/c7-5-2-1-4-3-8-6(5)9-4/h4-6H,1-3,7H2/t4-,5?,6+/m0/s1
InChIKey
HEZDNJVPYRIMLE-NOWQFEBASA-N
Compound name
(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 123.0
[M+Na]+ 152.06820 129.5
[M-H]- 128.07170 126.4
[M+NH4]+ 147.11280 145.3
[M+K]+ 168.04214 130.7
[M+H-H2O]+ 112.07624 118.7
[M+HCOO]- 174.07718 142.1
[M+CH3COO]- 188.09283 171.8
[M+Na-2H]- 150.05365 131.1
[M]+ 129.07843 120.4
[M]- 129.07953 120.4
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.