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]+ 171.112806 144.0
[M+Na]+ 193.094748 148.8
[M-H]- 169.098254 145.3
[M+NH4]+ 188.139353 166.3
[M+K]+ 209.068688 151.3
[M+H-H2O]+ 153.102790 137.3
[M+HCOO]- 215.103731 162.1
[M+CH3COO]- 229.119381 186.8
[M+Na-2H]- 191.080196 152.7
[M]+ 170.10498142 155.5
[M]- 170.10607858 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.