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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe