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]+ 219.08765 146.8
[M+Na]+ 241.06959 156.4
[M-H]- 217.07309 147.7
[M+NH4]+ 236.11419 160.9
[M+K]+ 257.04353 153.0
[M+H-H2O]+ 201.07763 137.6
[M+HCOO]- 263.07857 166.0
[M+CH3COO]- 277.09422 184.9
[M+Na-2H]- 239.05504 151.2
[M]+ 218.07982 147.7
[M]- 218.08092 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.