CID 28780022

5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C9H15N3O
SMILES
C1CCC(CC1)CC2=NN=C(O2)N
InChI
InChI=1S/C9H15N3O/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)
InChIKey
PIOZWIHCOPGZAV-UHFFFAOYSA-N
Compound name
5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.128776 139.6
[M+Na]+ 204.110718 145.4
[M-H]- 180.114224 143.1
[M+NH4]+ 199.155323 156.5
[M+K]+ 220.084658 144.2
[M+H-H2O]+ 164.118760 131.3
[M+HCOO]- 226.119701 159.2
[M+CH3COO]- 240.135351 180.6
[M+Na-2H]- 202.096166 144.1
[M]+ 181.12095142 135.1
[M]- 181.12204858 135.1
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.