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]+ 209.164836 150.4
[M+Na]+ 231.146778 155.1
[M-H]- 207.150284 153.2
[M+NH4]+ 226.191383 168.5
[M+K]+ 247.120718 153.6
[M+H-H2O]+ 191.154820 143.6
[M+HCOO]- 253.155761 173.6
[M+CH3COO]- 267.171411 194.5
[M+Na-2H]- 229.132226 153.2
[M]+ 208.15701142 149.4
[M]- 208.15810858 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.