CID 1273034

3-(1h-1,2,3,4-tetrazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C4H6N4O2
SMILES
C1=NN=NN1CCC(=O)O
InChI
InChI=1S/C4H6N4O2/c9-4(10)1-2-8-3-5-6-7-8/h3H,1-2H2,(H,9,10)
InChIKey
WMTYEYUOSFTJBH-UHFFFAOYSA-N
Compound name
3-(tetrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

142.04907 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05635 126.6
[M+Na]+ 165.03829 135.5
[M-H]- 141.04179 123.7
[M+NH4]+ 160.08289 143.5
[M+K]+ 181.01223 134.7
[M+H-H2O]+ 125.04633 118.4
[M+HCOO]- 187.04727 146.3
[M+CH3COO]- 201.06292 169.1
[M+Na-2H]- 163.02374 133.0
[M]+ 142.04852 127.0
[M]- 142.04962 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe