CID 28780018

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

Structural Information

Molecular Formula
C7H13N3O
SMILES
CC(C)CCC1=NN=C(O1)N
InChI
InChI=1S/C7H13N3O/c1-5(2)3-4-6-9-10-7(8)11-6/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKey
ALBHVGCSKFERBN-UHFFFAOYSA-N
Compound name
5-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 134.0
[M+Na]+ 178.09509 142.1
[M-H]- 154.09859 135.3
[M+NH4]+ 173.13969 152.5
[M+K]+ 194.06903 142.1
[M+H-H2O]+ 138.10313 126.8
[M+HCOO]- 200.10407 156.0
[M+CH3COO]- 214.11972 178.8
[M+Na-2H]- 176.08054 138.9
[M]+ 155.10532 134.9
[M]- 155.10642 134.9
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.