CID 54593855

(3-amino-4,4-dimethylpentyl)dimethylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.1783 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.185576 141.3
[M+Na]+ 181.167518 146.1
[M-H]- 157.171024 142.4
[M+NH4]+ 176.212123 162.4
[M+K]+ 197.141458 147.0
[M+H-H2O]+ 141.175560 136.2
[M+HCOO]- 203.176501 163.5
[M+CH3COO]- 217.192151 189.3
[M+Na-2H]- 179.152966 144.7
[M]+ 158.17775142 141.1
[M]- 158.17884858 141.1
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

No patent data available for this compound.