CID 43138763

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

Structural Information

Molecular Formula
C10H19N3O
SMILES
CC(CC1=NN=C(O1)N)CC(C)(C)C
InChI
InChI=1S/C10H19N3O/c1-7(6-10(2,3)4)5-8-12-13-9(11)14-8/h7H,5-6H2,1-4H3,(H2,11,13)
InChIKey
BSZZYLXEFCXXSZ-UHFFFAOYSA-N
Compound name
5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.15282 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.16010 146.5
[M+Na]+ 220.14204 155.8
[M+NH4]+ 215.18664 152.9
[M+K]+ 236.11598 154.1
[M-H]- 196.14554 147.3
[M+Na-2H]- 218.12749 149.8
[M]+ 197.15227 147.8
[M]- 197.15337 147.8
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.