CID 20794202

5-[(2-methylphenyl)methyl]-2h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=CC=CC=C1CC2=NNN=N2
InChI
InChI=1S/C9H10N4/c1-7-4-2-3-5-8(7)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKey
ROUDATCUSWUKFQ-UHFFFAOYSA-N
Compound name
5-[(2-methylphenyl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 137.0
[M+Na]+ 197.07977 146.4
[M-H]- 173.08327 137.3
[M+NH4]+ 192.12437 152.8
[M+K]+ 213.05371 142.3
[M+H-H2O]+ 157.08781 127.7
[M+HCOO]- 219.08875 156.9
[M+CH3COO]- 233.10440 149.3
[M+Na-2H]- 195.06522 143.7
[M]+ 174.09000 135.6
[M]- 174.09110 135.6
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

patents stripe