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

22
Patents

156.06473 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.072006 131.3
[M+Na]+ 179.053948 140.0
[M-H]- 155.057454 128.4
[M+NH4]+ 174.098553 147.8
[M+K]+ 195.027888 138.9
[M+H-H2O]+ 139.061990 123.0
[M+HCOO]- 201.062931 150.7
[M+CH3COO]- 215.078581 171.4
[M+Na-2H]- 177.039396 137.3
[M]+ 156.06418142 132.0
[M]- 156.06527858 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