CID 133638323

En300-7542063

Structural Information

Molecular Formula
C5H6N4O2
SMILES
CN1C(=NN=N1)/C=C/C(=O)O
InChI
InChI=1S/C5H6N4O2/c1-9-4(6-7-8-9)2-3-5(10)11/h2-3H,1H3,(H,10,11)/b3-2+
InChIKey
GWBGWXFXIRIKNV-NSCUHMNNSA-N
Compound name
(E)-3-(1-methyltetrazol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.04907 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.056346 130.4
[M+Na]+ 177.038288 140.3
[M-H]- 153.041794 127.9
[M+NH4]+ 172.082893 147.2
[M+K]+ 193.012228 138.6
[M+H-H2O]+ 137.046330 122.5
[M+HCOO]- 199.047271 150.0
[M+CH3COO]- 213.062921 171.7
[M+Na-2H]- 175.023736 135.6
[M]+ 154.04852142 130.8
[M]- 154.04961858 130.8
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

No patent data available for this compound.