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

104
Patents

128.06981 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.07709 124.5
[M+Na]+ 151.05903 134.6
[M-H]- 127.06253 122.0
[M+NH4]+ 146.10363 142.4
[M+K]+ 167.03297 133.2
[M+H-H2O]+ 111.06707 116.8
[M+HCOO]- 173.06801 144.0
[M+CH3COO]- 187.08366 168.2
[M+Na-2H]- 149.04448 130.1
[M]+ 128.06926 123.9
[M]- 128.07036 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