CID 81637

7218-02-2

Structural Information

Molecular Formula
C8H12N2
SMILES
CC1=CC(=CC(=C1N)C)N
InChI
InChI=1S/C8H12N2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,9-10H2,1-2H3
InChIKey
MJAVQHPPPBDYAN-UHFFFAOYSA-N
Compound name
2,6-dimethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9537
Patents

136.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 127.8
[M+Na]+ 159.089268 136.8
[M-H]- 135.092774 131.5
[M+NH4]+ 154.133873 149.4
[M+K]+ 175.063208 134.4
[M+H-H2O]+ 119.097310 122.5
[M+HCOO]- 181.098251 153.4
[M+CH3COO]- 195.113901 180.1
[M+Na-2H]- 157.074716 132.8
[M]+ 136.09950142 125.0
[M]- 136.10059858 125.0
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