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]+ 209.164836 150.2
[M+Na]+ 231.146778 153.6
[M-H]- 207.150284 151.7
[M+NH4]+ 226.191383 167.5
[M+K]+ 247.120718 151.4
[M+H-H2O]+ 191.154820 143.4
[M+HCOO]- 253.155761 172.5
[M+CH3COO]- 267.171411 191.4
[M+Na-2H]- 229.132226 154.3
[M]+ 208.15701142 147.9
[M]- 208.15810858 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.