CID 47002461

2-tert-butyl-5-hydrazinyl-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C8H12N4O
SMILES
CC(C)(C)C1=NC(=C(O1)NN)C#N
InChI
InChI=1S/C8H12N4O/c1-8(2,3)7-11-5(4-9)6(12-10)13-7/h12H,10H2,1-3H3
InChIKey
LCJOUPGKBCXCJA-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-hydrazinyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1011 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.108376 141.5
[M+Na]+ 203.090318 150.9
[M-H]- 179.093824 143.7
[M+NH4]+ 198.134923 158.1
[M+K]+ 219.064258 150.6
[M+H-H2O]+ 163.098360 128.2
[M+HCOO]- 225.099301 160.9
[M+CH3COO]- 239.114951 197.3
[M+Na-2H]- 201.075766 146.9
[M]+ 180.10055142 136.4
[M]- 180.10164858 136.4
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.