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]+ 195.087646 140.6
[M+Na]+ 217.069588 149.7
[M-H]- 193.073094 141.6
[M+NH4]+ 212.114193 157.3
[M+K]+ 233.043528 147.9
[M+H-H2O]+ 177.077630 132.0
[M+HCOO]- 239.078571 159.9
[M+CH3COO]- 253.094221 179.7
[M+Na-2H]- 215.055036 142.2
[M]+ 194.07982142 140.2
[M]- 194.08091858 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.