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

0
References

46
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

literature stripe

Patent stripe

patents stripe