CID 23440167

100508-42-7

Structural Information

Molecular Formula
C4H6N4O2
SMILES
C(CC(=O)O)C1=NNN=N1
InChI
InChI=1S/C4H6N4O2/c9-4(10)2-1-3-5-7-8-6-3/h1-2H2,(H,9,10)(H,5,6,7,8)
InChIKey
SSTPUPJGNDJBTO-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

142.04907 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05635 128.0
[M+Na]+ 165.03829 137.5
[M+NH4]+ 160.08289 132.9
[M+K]+ 181.01223 136.3
[M-H]- 141.04179 124.5
[M+Na-2H]- 163.02374 131.5
[M]+ 142.04852 127.7
[M]- 142.04962 127.7
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