CID 42933682

(1-amino-3-ethylpentan-2-yl)dimethylamine

Structural Information

Molecular Formula
C9H22N2
SMILES
CCC(CC)C(CN)N(C)C
InChI
InChI=1S/C9H22N2/c1-5-8(6-2)9(7-10)11(3)4/h8-9H,5-7,10H2,1-4H3
InChIKey
KSMHCPGLPFFCFA-UHFFFAOYSA-N
Compound name
3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.1783 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.18558 142.8
[M+Na]+ 181.16752 146.8
[M-H]- 157.17102 143.6
[M+NH4]+ 176.21212 163.6
[M+K]+ 197.14146 147.7
[M+H-H2O]+ 141.17556 136.9
[M+HCOO]- 203.17650 165.4
[M+CH3COO]- 217.19215 190.6
[M+Na-2H]- 179.15297 144.1
[M]+ 158.17775 142.4
[M]- 158.17885 142.4
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.