CID 60029

105838-77-5

Structural Information

Molecular Formula
C12H20N2O
SMILES
CCCN(C)CC(C1=CC(=CC=C1)N)O
InChI
InChI=1S/C12H20N2O/c1-3-7-14(2)9-12(15)10-5-4-6-11(13)8-10/h4-6,8,12,15H,3,7,9,13H2,1-2H3
InChIKey
GGRSNVCPKUTJON-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-2-[methyl(propyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 150.4
[M+Na]+ 231.14678 155.1
[M-H]- 207.15028 153.2
[M+NH4]+ 226.19138 168.5
[M+K]+ 247.12072 153.6
[M+H-H2O]+ 191.15482 143.6
[M+HCOO]- 253.15576 173.6
[M+CH3COO]- 267.17141 194.5
[M+Na-2H]- 229.13223 153.2
[M]+ 208.15701 149.4
[M]- 208.15811 149.4
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.