CID 24306

2-(1-ethylpropyl)-5-imino-delta(sup 2)-1,3,4-oxadiazoline hydrochloride

Structural Information

Molecular Formula
C7H13N3O
SMILES
CCC(CC)C1N=NC(=N)O1
InChI
InChI=1S/C7H13N3O/c1-3-5(4-2)6-9-10-7(8)11-6/h5-6,8H,3-4H2,1-2H3
InChIKey
VPWBADFKGVCXAK-UHFFFAOYSA-N
Compound name
2-pentan-3-yl-2H-1,3,4-oxadiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 134.5
[M+Na]+ 178.09509 141.7
[M-H]- 154.09859 135.9
[M+NH4]+ 173.13969 153.0
[M+K]+ 194.06903 141.7
[M+H-H2O]+ 138.10313 127.3
[M+HCOO]- 200.10407 155.8
[M+CH3COO]- 214.11972 179.0
[M+Na-2H]- 176.08054 139.4
[M]+ 155.10532 134.2
[M]- 155.10642 134.2
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.