CID 146049848

Rac-(1r,6s)-3-oxabicyclo[4.1.0]heptan-6-amine hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1COC[C@H]2[C@@]1(C2)N
InChI
InChI=1S/C6H11NO/c7-6-1-2-8-4-5(6)3-6/h5H,1-4,7H2/t5-,6+/m0/s1
InChIKey
GTYBCXLDMBKOHV-NTSWFWBYSA-N
Compound name
(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.0
[M+Na]+ 136.07328 130.8
[M-H]- 112.07678 127.7
[M+NH4]+ 131.11788 140.9
[M+K]+ 152.04722 131.0
[M+H-H2O]+ 96.081320 117.2
[M+HCOO]- 158.08226 142.5
[M+CH3COO]- 172.09791 172.8
[M+Na-2H]- 134.05873 132.1
[M]+ 113.08351 121.4
[M]- 113.08461 121.4
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.