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

70
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 127.5
[M+Na]+ 165.03829 136.0
[M-H]- 141.04179 123.3
[M+NH4]+ 160.08289 143.7
[M+K]+ 181.01223 134.3
[M+H-H2O]+ 125.04633 119.5
[M+HCOO]- 187.04727 145.7
[M+CH3COO]- 201.06292 166.5
[M+Na-2H]- 163.02374 133.4
[M]+ 142.04852 126.0
[M]- 142.04962 126.0
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