CID 16768333

5-cyclohexyl-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CCC(CC1)C2=NN=C(O2)N
InChI
InChI=1S/C8H13N3O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,11)
InChIKey
KPJOXDBKXBMZPL-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

167.10587 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 135.1
[M+Na]+ 190.095088 141.3
[M-H]- 166.098594 138.8
[M+NH4]+ 185.139693 152.5
[M+K]+ 206.069028 140.4
[M+H-H2O]+ 150.103130 127.0
[M+HCOO]- 212.104071 155.0
[M+CH3COO]- 226.119721 147.5
[M+Na-2H]- 188.080536 140.1
[M]+ 167.10532142 130.3
[M]- 167.10641858 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe