CID 45792361

1-{5-[(diethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H22N4O
SMILES
CCN(CC)CC1=NC(=NO1)C2(CCCC2)N
InChI
InChI=1S/C12H22N4O/c1-3-16(4-2)9-10-14-11(15-17-10)12(13)7-5-6-8-12/h3-9,13H2,1-2H3
InChIKey
XKUBBJOWPFWROY-UHFFFAOYSA-N
Compound name
1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.17937 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18665 154.4
[M+Na]+ 261.16859 159.8
[M-H]- 237.17209 159.8
[M+NH4]+ 256.21319 173.2
[M+K]+ 277.14253 159.8
[M+H-H2O]+ 221.17663 146.3
[M+HCOO]- 283.17757 176.8
[M+CH3COO]- 297.19322 197.5
[M+Na-2H]- 259.15404 157.1
[M]+ 238.17882 154.1
[M]- 238.17992 154.1
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.