CID 701825

2-[5-(4-methylphenyl)-2h-1,2,3,4-tetrazol-2-yl]acetic acid

Structural Information

Molecular Formula
C10H10N4O2
SMILES
CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)O
InChI
InChI=1S/C10H10N4O2/c1-7-2-4-8(5-3-7)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKey
QBJSWVLDHWIJDK-UHFFFAOYSA-N
Compound name
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

218.08037 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.087646 146.8
[M+Na]+ 241.069588 156.4
[M-H]- 217.073094 147.7
[M+NH4]+ 236.114193 160.9
[M+K]+ 257.043528 153.0
[M+H-H2O]+ 201.077630 137.6
[M+HCOO]- 263.078571 166.0
[M+CH3COO]- 277.094221 184.9
[M+Na-2H]- 239.055036 151.2
[M]+ 218.07982142 147.7
[M]- 218.08091858 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.