CID 16769788

1-[3-(1h-1,2,3,4-tetrazol-1-yl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC(C1=CC(=CC=C1)N2C=NN=N2)O
InChI
InChI=1S/C9H10N4O/c1-7(14)8-3-2-4-9(5-8)13-6-10-11-12-13/h2-7,14H,1H3
InChIKey
XLTLXQOIFUIVTF-UHFFFAOYSA-N
Compound name
1-[3-(tetrazol-1-yl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 140.1
[M+Na]+ 213.07468 149.1
[M-H]- 189.07818 140.7
[M+NH4]+ 208.11928 155.2
[M+K]+ 229.04862 146.0
[M+H-H2O]+ 173.08272 130.9
[M+HCOO]- 235.08366 159.3
[M+CH3COO]- 249.09931 152.2
[M+Na-2H]- 211.06013 145.8
[M]+ 190.08491 139.6
[M]- 190.08601 139.6
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.