CID 209569

1-anilino-3-(isopropylamino)-2-propanol dihydrochloride

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC(C)NCC(CNC1=CC=CC=C1)O
InChI
InChI=1S/C12H20N2O/c1-10(2)13-8-12(15)9-14-11-6-4-3-5-7-11/h3-7,10,12-15H,8-9H2,1-2H3
InChIKey
NMZHHHRKTZJSHU-UHFFFAOYSA-N
Compound name
1-anilino-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 150.2
[M+Na]+ 231.14678 153.6
[M-H]- 207.15028 151.7
[M+NH4]+ 226.19138 167.5
[M+K]+ 247.12072 151.4
[M+H-H2O]+ 191.15482 143.4
[M+HCOO]- 253.15576 172.5
[M+CH3COO]- 267.17141 191.4
[M+Na-2H]- 229.13223 154.3
[M]+ 208.15701 147.9
[M]- 208.15811 147.9
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

No patent data available for this compound.