CID 55285236

1803598-78-8

Structural Information

Molecular Formula
C6H11NO
SMILES
C1[C@@H]2[C@@H](C2CN)CO1
InChI
InChI=1S/C6H11NO/c7-1-4-5-2-8-3-6(4)5/h4-6H,1-3,7H2/t4?,5-,6+
InChIKey
AWZIRBSKQVRHQS-GOHHTPAQSA-N
Compound name
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 119.8
[M+Na]+ 136.07328 129.6
[M-H]- 112.07678 125.5
[M+NH4]+ 131.11788 138.8
[M+K]+ 152.04722 128.3
[M+H-H2O]+ 96.081320 114.8
[M+HCOO]- 158.08226 142.4
[M+CH3COO]- 172.09791 174.1
[M+Na-2H]- 134.05873 127.2
[M]+ 113.08351 121.1
[M]- 113.08461 121.1
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

patents stripe