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
(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 129.3
[M+Na]+ 150.08894 139.0
[M-H]- 126.09244 131.9
[M+NH4]+ 145.13354 147.6
[M+K]+ 166.06288 135.8
[M+H-H2O]+ 110.09698 123.6
[M+HCOO]- 172.09792 149.5
[M+CH3COO]- 186.11357 173.2
[M+Na-2H]- 148.07439 134.8
[M]+ 127.09917 130.5
[M]- 127.10027 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