CID 127009365

1855700-69-4

Structural Information

Molecular Formula
C8H10N4O2
SMILES
CN1N=C(N=N1)C2=C(CCC2)C(=O)O
InChI
InChI=1S/C8H10N4O2/c1-12-10-7(9-11-12)5-3-2-4-6(5)8(13)14/h2-4H2,1H3,(H,13,14)
InChIKey
DOCKGRFBEHEVON-UHFFFAOYSA-N
Compound name
2-(2-methyltetrazol-5-yl)cyclopentene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08037 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 140.6
[M+Na]+ 217.06959 149.7
[M-H]- 193.07309 141.6
[M+NH4]+ 212.11419 157.3
[M+K]+ 233.04353 147.9
[M+H-H2O]+ 177.07763 132.0
[M+HCOO]- 239.07857 159.9
[M+CH3COO]- 253.09422 179.7
[M+Na-2H]- 215.05504 142.2
[M]+ 194.07982 140.2
[M]- 194.08092 140.2
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.