CID 6621729

14064-62-1

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=CC=C(C=C1)CC2=NNN=N2
InChI
InChI=1S/C9H10N4/c1-7-2-4-8(5-3-7)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKey
VMIKUUFXESGJLK-UHFFFAOYSA-N
Compound name
5-[(4-methylphenyl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

174.09055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 137.2
[M+Na]+ 197.07977 151.0
[M+NH4]+ 192.12437 144.6
[M+K]+ 213.05371 146.4
[M-H]- 173.08327 138.6
[M+Na-2H]- 195.06522 145.7
[M]+ 174.09000 139.4
[M]- 174.09110 139.4
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