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]+ 225.17099 150.0
[M+Na]+ 247.15293 153.2
[M-H]- 223.15643 153.6
[M+NH4]+ 242.19753 162.8
[M+K]+ 263.12687 156.2
[M+H-H2O]+ 207.16097 139.1
[M+HCOO]- 269.16191 166.5
[M+CH3COO]- 283.17756 160.0
[M+Na-2H]- 245.13838 152.8
[M]+ 224.16316 144.0
[M]- 224.16426 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.