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

16
Patents

181.1215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.128776 138.8
[M+Na]+ 204.110718 145.5
[M-H]- 180.114224 142.7
[M+NH4]+ 199.155323 157.7
[M+K]+ 220.084658 144.7
[M+H-H2O]+ 164.118760 131.2
[M+HCOO]- 226.119701 158.4
[M+CH3COO]- 240.135351 151.3
[M+Na-2H]- 202.096166 144.4
[M]+ 181.12095142 134.6
[M]- 181.12204858 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