CID 283417

127866-81-3

Structural Information

Molecular Formula
C9H11N5
SMILES
CC1=C(C(=CC=C1)C)N2C(=NN=N2)N
InChI
InChI=1S/C9H11N5/c1-6-4-3-5-7(2)8(6)14-9(10)11-12-13-14/h3-5H,1-2H3,(H2,10,11,13)
InChIKey
GUKRUMMXLOLWCY-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)tetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10144 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10872 141.5
[M+Na]+ 212.09066 152.4
[M-H]- 188.09416 143.7
[M+NH4]+ 207.13526 157.6
[M+K]+ 228.06460 148.6
[M+H-H2O]+ 172.09870 132.3
[M+HCOO]- 234.09964 163.5
[M+CH3COO]- 248.11529 154.4
[M+Na-2H]- 210.07611 146.8
[M]+ 189.10089 141.2
[M]- 189.10199 141.2
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