CID 55287070

1807901-57-0

Structural Information

Molecular Formula
C7H13NO
SMILES
COCC1[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C7H13NO/c1-9-4-7-5-2-8-3-6(5)7/h5-8H,2-4H2,1H3/t5-,6+,7?
InChIKey
ONWFLWZVGKSSKJ-MEKDEQNOSA-N
Compound name
(1S,5R)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 129.3
[M+Na]+ 150.088938 139.0
[M-H]- 126.092444 131.9
[M+NH4]+ 145.133543 147.6
[M+K]+ 166.062878 135.8
[M+H-H2O]+ 110.096980 123.6
[M+HCOO]- 172.097921 149.5
[M+CH3COO]- 186.113571 173.2
[M+Na-2H]- 148.074386 134.8
[M]+ 127.09917142 130.5
[M]- 127.10026858 130.5
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