CID 40983

Amiterol

Structural Information

Molecular Formula
C12H20N2O
SMILES
CCC(C)NCC(C1=CC=C(C=C1)N)O
InChI
InChI=1S/C12H20N2O/c1-3-9(2)14-8-12(15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8,13H2,1-2H3
InChIKey
UWYLQWLJGMLJQF-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-2-(butan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
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 150.7
[M+Na]+ 231.14678 155.0
[M-H]- 207.15028 152.1
[M+NH4]+ 226.19138 168.0
[M+K]+ 247.12072 152.6
[M+H-H2O]+ 191.15482 144.1
[M+HCOO]- 253.15576 172.3
[M+CH3COO]- 267.17141 192.0
[M+Na-2H]- 229.13223 152.9
[M]+ 208.15701 147.7
[M]- 208.15811 147.7
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

patents stripe