CID 86775555

N-methyl-n-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine

Structural Information

Molecular Formula
C11H20N4O
SMILES
CC1=NC(=NO1)CN(C)C2CCCNCC2
InChI
InChI=1S/C11H20N4O/c1-9-13-11(14-16-9)8-15(2)10-4-3-6-12-7-5-10/h10,12H,3-8H2,1-2H3
InChIKey
LJBHBYHZOGFPKB-UHFFFAOYSA-N
Compound name
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.16371 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.170986 150.0
[M+Na]+ 247.152928 153.2
[M-H]- 223.156434 153.6
[M+NH4]+ 242.197533 162.8
[M+K]+ 263.126868 156.2
[M+H-H2O]+ 207.160970 139.1
[M+HCOO]- 269.161911 166.5
[M+CH3COO]- 283.177561 160.0
[M+Na-2H]- 245.138376 152.8
[M]+ 224.16316142 144.0
[M]- 224.16425858 144.0
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.