CID 135553024

69049-02-1

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1CC1N2C(=O)NN=N2
InChI
InChI=1S/C4H6N4O/c9-4-5-6-7-8(4)3-1-2-3/h3H,1-2H2,(H,5,7,9)
InChIKey
GUTNODKBPXZJOD-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1H-tetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

126.05416 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 134.9
[M+Na]+ 149.04338 147.1
[M-H]- 125.04688 136.2
[M+NH4]+ 144.08798 147.9
[M+K]+ 165.01732 142.7
[M+H-H2O]+ 109.05142 126.3
[M+HCOO]- 171.05236 155.7
[M+CH3COO]- 185.06801 147.5
[M+Na-2H]- 147.02883 140.7
[M]+ 126.05361 135.6
[M]- 126.05471 135.6
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