CID 66605

2,4,6-triaminotoluene

Structural Information

Molecular Formula
C7H11N3
SMILES
CC1=C(C=C(C=C1N)N)N
InChI
InChI=1S/C7H11N3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,8-10H2,1H3
InChIKey
YYDRNPOEMZZTPM-UHFFFAOYSA-N
Compound name
2-methylbenzene-1,3,5-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

1034
Patents

137.09529 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 127.6
[M+Na]+ 160.084508 136.3
[M-H]- 136.088014 131.0
[M+NH4]+ 155.129113 148.5
[M+K]+ 176.058448 133.7
[M+H-H2O]+ 120.092550 122.0
[M+HCOO]- 182.093491 153.9
[M+CH3COO]- 196.109141 181.7
[M+Na-2H]- 158.069956 132.3
[M]+ 137.09474142 122.7
[M]- 137.09583858 122.7
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