CID 91056225

Schembl24424824

Structural Information

Molecular Formula
C13H31N3
SMILES
CC(C)N(C)CCN(C)CCN(C)C(C)C
InChI
InChI=1S/C13H31N3/c1-12(2)15(6)10-8-14(5)9-11-16(7)13(3)4/h12-13H,8-11H2,1-7H3
InChIKey
HOXYZHCBGBQOJY-UHFFFAOYSA-N
Compound name
N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

229.2518 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.25908 165.4
[M+Na]+ 252.24102 167.3
[M-H]- 228.24452 168.9
[M+NH4]+ 247.28562 184.5
[M+K]+ 268.21496 170.3
[M+H-H2O]+ 212.24906 157.9
[M+HCOO]- 274.25000 189.3
[M+CH3COO]- 288.26565 215.4
[M+Na-2H]- 250.22647 164.3
[M]+ 229.25125 169.4
[M]- 229.25235 169.4
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.