CID 533455

N1,n1,n2-trimethylbenzene-1,2-diamine

Structural Information

Molecular Formula
C9H14N2
SMILES
CNC1=CC=CC=C1N(C)C
InChI
InChI=1S/C9H14N2/c1-10-8-6-4-5-7-9(8)11(2)3/h4-7,10H,1-3H3
InChIKey
BXBFTMKSQSKHMF-UHFFFAOYSA-N
Compound name
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

150.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 131.8
[M+Na]+ 173.104908 138.5
[M-H]- 149.108414 137.1
[M+NH4]+ 168.149513 153.3
[M+K]+ 189.078848 138.0
[M+H-H2O]+ 133.112950 125.5
[M+HCOO]- 195.113891 158.9
[M+CH3COO]- 209.129541 185.7
[M+Na-2H]- 171.090356 139.1
[M]+ 150.11514142 131.8
[M]- 150.11623858 131.8
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