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]+ 155.05635 130.4
[M+Na]+ 177.03829 140.3
[M-H]- 153.04179 127.9
[M+NH4]+ 172.08289 147.2
[M+K]+ 193.01223 138.6
[M+H-H2O]+ 137.04633 122.5
[M+HCOO]- 199.04727 150.0
[M+CH3COO]- 213.06292 171.7
[M+Na-2H]- 175.02374 135.6
[M]+ 154.04852 130.8
[M]- 154.04962 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.