CID 76548

3102-87-2

Structural Information

Molecular Formula
C10H16N2
SMILES
CC1=C(C(=C(C(=C1N)C)C)N)C
InChI
InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3
InChIKey
WCZNKVPCIFMXEQ-UHFFFAOYSA-N
Compound name
2,3,5,6-tetramethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

6349
Patents

164.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 136.7
[M+Na]+ 187.12057 146.8
[M-H]- 163.12407 140.9
[M+NH4]+ 182.16517 157.8
[M+K]+ 203.09451 144.0
[M+H-H2O]+ 147.12861 131.6
[M+HCOO]- 209.12955 161.6
[M+CH3COO]- 223.14520 188.8
[M+Na-2H]- 185.10602 139.2
[M]+ 164.13080 135.4
[M]- 164.13190 135.4
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