CID 3018838

2,3,5,6-tetramethylcyclohexane-1,4-diamine

Structural Information

Molecular Formula
C10H22N2
SMILES
CC1C(C(C(C(C1N)C)C)N)C
InChI
InChI=1S/C10H22N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h5-10H,11-12H2,1-4H3
InChIKey
JYKLTPIGDOBKIA-UHFFFAOYSA-N
Compound name
2,3,5,6-tetramethylcyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

170.1783 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.185576 142.0
[M+Na]+ 193.167518 149.0
[M-H]- 169.171024 145.1
[M+NH4]+ 188.212123 162.6
[M+K]+ 209.141458 146.8
[M+H-H2O]+ 153.175560 137.0
[M+HCOO]- 215.176501 162.5
[M+CH3COO]- 229.192151 189.9
[M+Na-2H]- 191.152966 141.5
[M]+ 170.17775142 136.3
[M]- 170.17884858 136.3
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