CID 165882851

1-(aminomethyl)-n-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxamide hydrochloride

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CNC(=O)C12CC(C1)(OC2)CN
InChI
InChI=1S/C8H14N2O2/c1-10-6(11)7-2-8(3-7,4-9)12-5-7/h2-5,9H2,1H3,(H,10,11)
InChIKey
IGXILAITESRDFO-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-N-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 144.0
[M+Na]+ 193.09475 148.8
[M-H]- 169.09825 145.3
[M+NH4]+ 188.13935 166.3
[M+K]+ 209.06869 151.3
[M+H-H2O]+ 153.10279 137.3
[M+HCOO]- 215.10373 162.1
[M+CH3COO]- 229.11938 186.8
[M+Na-2H]- 191.08020 152.7
[M]+ 170.10498 155.5
[M]- 170.10608 155.5
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

No patent data available for this compound.