CID 135829349

69049-00-9

Structural Information

Molecular Formula
C4H8N4O
SMILES
CC(C)N1C(=O)NN=N1
InChI
InChI=1S/C4H8N4O/c1-3(2)8-4(9)5-6-7-8/h3H,1-2H3,(H,5,7,9)
InChIKey
VWLKWKCGYOWRMJ-UHFFFAOYSA-N
Compound name
4-propan-2-yl-1H-tetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

128.06981 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 124.5
[M+Na]+ 151.059028 134.6
[M-H]- 127.062534 122.0
[M+NH4]+ 146.103633 142.4
[M+K]+ 167.032968 133.2
[M+H-H2O]+ 111.067070 116.8
[M+HCOO]- 173.068011 144.0
[M+CH3COO]- 187.083661 168.2
[M+Na-2H]- 149.044476 130.1
[M]+ 128.06926142 123.9
[M]- 128.07035858 123.9
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

patents stripe