CID 226842

N1-(1,1-dimethyl-2-hydroxyethyl)-2-methyl-1,2-propanediamine

Structural Information

Molecular Formula
C8H20N2O
SMILES
CC(C)(CNC(C)(C)CO)N
InChI
InChI=1S/C8H20N2O/c1-7(2,9)5-10-8(3,4)6-11/h10-11H,5-6,9H2,1-4H3
InChIKey
KELFTKQGPKSTJH-UHFFFAOYSA-N
Compound name
2-[(2-amino-2-methylpropyl)amino]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

160.15756 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.16484 139.4
[M+Na]+ 183.14678 144.4
[M-H]- 159.15028 137.8
[M+NH4]+ 178.19138 158.9
[M+K]+ 199.12072 143.6
[M+H-H2O]+ 143.15482 135.1
[M+HCOO]- 205.15576 159.4
[M+CH3COO]- 219.17141 182.5
[M+Na-2H]- 181.13223 145.5
[M]+ 160.15701 137.2
[M]- 160.15811 137.2
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.