CID 86775674

1803599-19-0

Structural Information

Molecular Formula
C12H22N4O
SMILES
CCN(CC1=NOC(=N1)C)C2CCCNCC2
InChI
InChI=1S/C12H22N4O/c1-3-16(9-12-14-10(2)17-15-12)11-5-4-7-13-8-6-11/h11,13H,3-9H2,1-2H3
InChIKey
PGRZAJXNNHBIFE-UHFFFAOYSA-N
Compound name
N-ethyl-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

238.17937 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18665 154.3
[M+Na]+ 261.16859 157.1
[M-H]- 237.17209 157.8
[M+NH4]+ 256.21319 166.6
[M+K]+ 277.14253 159.8
[M+H-H2O]+ 221.17663 143.2
[M+HCOO]- 283.17757 170.5
[M+CH3COO]- 297.19322 195.1
[M+Na-2H]- 259.15404 156.6
[M]+ 238.17882 148.7
[M]- 238.17992 148.7
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.