CID 12639037

Diethyl({2-[(propan-2-yl)amino]ethyl})amine

Structural Information

Molecular Formula
C9H22N2
SMILES
CCN(CC)CCNC(C)C
InChI
InChI=1S/C9H22N2/c1-5-11(6-2)8-7-10-9(3)4/h9-10H,5-8H2,1-4H3
InChIKey
SRYCFYOMSLPFBO-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-propan-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
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 141.8
[M+Na]+ 181.16752 146.0
[M-H]- 157.17102 143.0
[M+NH4]+ 176.21212 162.9
[M+K]+ 197.14146 146.8
[M+H-H2O]+ 141.17556 135.8
[M+HCOO]- 203.17650 166.1
[M+CH3COO]- 217.19215 190.4
[M+Na-2H]- 179.15297 145.5
[M]+ 158.17775 143.1
[M]- 158.17885 143.1
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

patents stripe