CID 62594837

3-isopropyl-n-methyl-1,2,4-oxadiazol-5-amine

Structural Information

Molecular Formula
C6H11N3O
SMILES
CC(C)C1=NOC(=N1)NC
InChI
InChI=1S/C6H11N3O/c1-4(2)5-8-6(7-3)10-9-5/h4H,1-3H3,(H,7,8,9)
InChIKey
VPOYXTRLFXNRJN-UHFFFAOYSA-N
Compound name
N-methyl-3-propan-2-yl-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.09021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 129.0
[M+Na]+ 164.07943 137.5
[M-H]- 140.08293 131.0
[M+NH4]+ 159.12403 148.3
[M+K]+ 180.05337 138.1
[M+H-H2O]+ 124.08747 122.0
[M+HCOO]- 186.08841 152.0
[M+CH3COO]- 200.10406 176.5
[M+Na-2H]- 162.06488 135.5
[M]+ 141.08966 130.5
[M]- 141.09076 130.5
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.