CID 138544297

2306425-80-7

Structural Information

Molecular Formula
C7H13NO
SMILES
COCC12CC(C1)NC2
InChI
InChI=1S/C7H13NO/c1-9-5-7-2-6(3-7)8-4-7/h6,8H,2-5H2,1H3
InChIKey
LYZKKSGZDSJNRG-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 132.5
[M+Na]+ 150.088938 138.9
[M-H]- 126.092444 131.4
[M+NH4]+ 145.133543 155.3
[M+K]+ 166.062878 139.9
[M+H-H2O]+ 110.096980 125.5
[M+HCOO]- 172.097921 149.2
[M+CH3COO]- 186.113571 174.4
[M+Na-2H]- 148.074386 140.7
[M]+ 127.09917142 144.1
[M]- 127.10026858 144.1
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