CID 209576

1-(isopropylamino)-3-m-toluidino-2-propanol dihydrochloride

Structural Information

Molecular Formula
C13H22N2O
SMILES
CC1=CC(=CC=C1)NCC(CNC(C)C)O
InChI
InChI=1S/C13H22N2O/c1-10(2)14-8-13(16)9-15-12-6-4-5-11(3)7-12/h4-7,10,13-16H,8-9H2,1-3H3
InChIKey
XOBSVESDRSZXMD-UHFFFAOYSA-N
Compound name
1-(3-methylanilino)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 154.7
[M+Na]+ 245.16244 163.9
[M+NH4]+ 240.20704 162.0
[M+K]+ 261.13638 158.2
[M-H]- 221.16594 156.9
[M+Na-2H]- 243.14789 159.6
[M]+ 222.17267 156.3
[M]- 222.17377 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.