CID 124251246

3-methoxybicyclo[1.1.1]pentan-1-amine

Structural Information

Molecular Formula
C6H11NO
SMILES
COC12CC(C1)(C2)N
InChI
InChI=1S/C6H11NO/c1-8-6-2-5(7,3-6)4-6/h2-4,7H2,1H3
InChIKey
GFDQQBBUZRWEIT-UHFFFAOYSA-N
Compound name
3-methoxybicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
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 142.5
[M+Na]+ 136.07328 146.7
[M-H]- 112.07678 145.8
[M+NH4]+ 131.11788 150.4
[M+K]+ 152.04722 152.8
[M+H-H2O]+ 96.081320 129.9
[M+HCOO]- 158.08226 156.8
[M+CH3COO]- 172.09791 201.8
[M+Na-2H]- 134.05873 150.1
[M]+ 113.08351 166.4
[M]- 113.08461 166.4
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