CID 16227603

1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC1=NC(=NO1)C2(CCCCC2)N
InChI
InChI=1S/C9H15N3O/c1-7-11-8(12-13-7)9(10)5-3-2-4-6-9/h2-6,10H2,1H3
InChIKey
VWQGOQSMLIKZKR-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

181.1215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 138.8
[M+Na]+ 204.11072 145.5
[M-H]- 180.11422 142.7
[M+NH4]+ 199.15532 157.7
[M+K]+ 220.08466 144.7
[M+H-H2O]+ 164.11876 131.2
[M+HCOO]- 226.11970 158.4
[M+CH3COO]- 240.13535 151.3
[M+Na-2H]- 202.09617 144.4
[M]+ 181.12095 134.6
[M]- 181.12205 134.6
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

patents stripe