CID 148372

152665-33-3

Structural Information

Molecular Formula
C10H12N4O
SMILES
CC1=CC(=CC(=C1O)C)C2=NN(N=N2)C
InChI
InChI=1S/C10H12N4O/c1-6-4-8(5-7(2)9(6)15)10-11-13-14(3)12-10/h4-5,15H,1-3H3
InChIKey
RYBFPEHWIREKRA-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

204.1011 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 145.5
[M+Na]+ 227.09032 157.2
[M-H]- 203.09382 147.0
[M+NH4]+ 222.13492 161.1
[M+K]+ 243.06426 153.3
[M+H-H2O]+ 187.09836 137.0
[M+HCOO]- 249.09930 165.4
[M+CH3COO]- 263.11495 185.2
[M+Na-2H]- 225.07577 149.4
[M]+ 204.10055 147.2
[M]- 204.10165 147.2
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.