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

70
Patents

126.05416 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.061436 134.9
[M+Na]+ 149.043378 147.1
[M-H]- 125.046884 136.2
[M+NH4]+ 144.087983 147.9
[M+K]+ 165.017318 142.7
[M+H-H2O]+ 109.051420 126.3
[M+HCOO]- 171.052361 155.7
[M+CH3COO]- 185.068011 147.5
[M+Na-2H]- 147.028826 140.7
[M]+ 126.05361142 135.6
[M]- 126.05470858 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