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

40
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 142.5
[M+Na]+ 136.073278 146.7
[M-H]- 112.076784 145.8
[M+NH4]+ 131.117883 150.4
[M+K]+ 152.047218 152.8
[M+H-H2O]+ 96.081320 129.9
[M+HCOO]- 158.082261 156.8
[M+CH3COO]- 172.097911 201.8
[M+Na-2H]- 134.058726 150.1
[M]+ 113.08351142 166.4
[M]- 113.08460858 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