CID 10997805

160698-31-7

Structural Information

Molecular Formula
C9H10N4O
SMILES
COC1=CC=C(C=C1)CN2C=NN=N2
InChI
InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3
InChIKey
ODJQFWLXWRQLSQ-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

190.08546 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 139.3
[M+Na]+ 213.07468 148.9
[M-H]- 189.07818 140.9
[M+NH4]+ 208.11928 155.0
[M+K]+ 229.04862 146.3
[M+H-H2O]+ 173.08272 129.5
[M+HCOO]- 235.08366 160.9
[M+CH3COO]- 249.09931 152.1
[M+Na-2H]- 211.06013 146.4
[M]+ 190.08491 141.1
[M]- 190.08601 141.1
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