CID 96732130

((1r,5s)-3-oxabicyclo[3.1.0]hexan-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1[C@H]2[C@@]1(COC2)CN
InChI
InChI=1S/C6H11NO/c7-3-6-1-5(6)2-8-4-6/h5H,1-4,7H2/t5-,6-/m1/s1
InChIKey
GFWCRAOJLDHNKN-PHDIDXHHSA-N
Compound name
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 120.5
[M+Na]+ 136.07328 130.1
[M-H]- 112.07678 126.2
[M+NH4]+ 131.11788 141.1
[M+K]+ 152.04722 129.7
[M+H-H2O]+ 96.081320 116.2
[M+HCOO]- 158.08226 142.7
[M+CH3COO]- 172.09791 172.6
[M+Na-2H]- 134.05873 129.4
[M]+ 113.08351 121.8
[M]- 113.08461 121.8
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.