CID 135648956

4-(2-methyl-2h-tetrazol-5-yl)phenol

Structural Information

Molecular Formula
C8H8N4O
SMILES
CN1N=C(N=N1)C2=CC=C(C=C2)O
InChI
InChI=1S/C8H8N4O/c1-12-10-8(9-11-12)6-2-4-7(13)5-3-6/h2-5,13H,1H3
InChIKey
DHVYVFDSGOTDPA-UHFFFAOYSA-N
Compound name
4-(2-methyltetrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

176.06981 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 135.9
[M+Na]+ 199.05903 146.6
[M-H]- 175.06253 136.9
[M+NH4]+ 194.10363 151.9
[M+K]+ 215.03297 143.2
[M+H-H2O]+ 159.06707 127.0
[M+HCOO]- 221.06801 156.4
[M+CH3COO]- 235.08366 148.9
[M+Na-2H]- 197.04448 142.4
[M]+ 176.06926 136.0
[M]- 176.07036 136.0
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

patents stripe