CID 793264

132372-75-9

Structural Information

Molecular Formula
C9H10N4O
SMILES
COC1=CC=C(C=C1)CC2=NNN=N2
InChI
InChI=1S/C9H10N4O/c1-14-8-4-2-7(3-5-8)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKey
IWWXWEYVLHRYML-UHFFFAOYSA-N
Compound name
5-[(4-methoxyphenyl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

46
Patents

190.08546 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 139.9
[M+Na]+ 213.074678 149.1
[M-H]- 189.078184 140.2
[M+NH4]+ 208.119283 154.9
[M+K]+ 229.048618 145.5
[M+H-H2O]+ 173.082720 130.4
[M+HCOO]- 235.083661 160.0
[M+CH3COO]- 249.099311 152.0
[M+Na-2H]- 211.060126 146.6
[M]+ 190.08491142 139.9
[M]- 190.08600858 139.9
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