CID 10374663

134558-05-7

Structural Information

Molecular Formula
C5H8N4O2
SMILES
COC(=O)CCC1=NNN=N1
InChI
InChI=1S/C5H8N4O2/c1-11-5(10)3-2-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)
InChIKey
VFXIQEODHISXKB-UHFFFAOYSA-N
Compound name
methyl 3-(2H-tetrazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

156.06473 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 131.3
[M+Na]+ 179.05395 140.0
[M-H]- 155.05745 128.4
[M+NH4]+ 174.09855 147.8
[M+K]+ 195.02789 138.9
[M+H-H2O]+ 139.06199 123.0
[M+HCOO]- 201.06293 150.7
[M+CH3COO]- 215.07858 171.4
[M+Na-2H]- 177.03940 137.3
[M]+ 156.06418 132.0
[M]- 156.06528 132.0
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