CID 436365

1-n,1-n,2-trimethylbenzene-1,4-diamine

Structural Information

Molecular Formula
C9H14N2
SMILES
CC1=C(C=CC(=C1)N)N(C)C
InChI
InChI=1S/C9H14N2/c1-7-6-8(10)4-5-9(7)11(2)3/h4-6H,10H2,1-3H3
InChIKey
JHGFAGAHQPLGOQ-UHFFFAOYSA-N
Compound name
1-N,1-N,2-trimethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

150.11569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 132.0
[M+Na]+ 173.104908 139.8
[M-H]- 149.108414 137.2
[M+NH4]+ 168.149513 153.7
[M+K]+ 189.078848 138.9
[M+H-H2O]+ 133.112950 126.0
[M+HCOO]- 195.113891 158.5
[M+CH3COO]- 209.129541 186.1
[M+Na-2H]- 171.090356 137.5
[M]+ 150.11514142 131.4
[M]- 150.11623858 131.4
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