CID 76714

2,4,4-trimethylhexane-1,6-diamine

Structural Information

Molecular Formula
C9H22N2
SMILES
CC(CC(C)(C)CCN)CN
InChI
InChI=1S/C9H22N2/c1-8(7-11)6-9(2,3)4-5-10/h8H,4-7,10-11H2,1-3H3
InChIKey
DPQHRXRAZHNGRU-UHFFFAOYSA-N
Compound name
2,4,4-trimethylhexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

20349
Patents

158.1783 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.185576 141.7
[M+Na]+ 181.167518 146.2
[M-H]- 157.171024 140.7
[M+NH4]+ 176.212123 161.7
[M+K]+ 197.141458 145.3
[M+H-H2O]+ 141.175560 136.6
[M+HCOO]- 203.176501 162.7
[M+CH3COO]- 217.192151 185.8
[M+Na-2H]- 179.152966 144.7
[M]+ 158.17775142 139.2
[M]- 158.17884858 139.2
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