CID 209582

1-(isopropylamino)-3-(2,5-xylidino)-2-propanol dihydrochloride

Structural Information

Molecular Formula
C14H24N2O
SMILES
CC1=CC(=C(C=C1)C)NCC(CNC(C)C)O
InChI
InChI=1S/C14H24N2O/c1-10(2)15-8-13(17)9-16-14-7-11(3)5-6-12(14)4/h5-7,10,13,15-17H,8-9H2,1-4H3
InChIKey
GTNVNGAGWGQFEE-UHFFFAOYSA-N
Compound name
1-(2,5-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.18886 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.19614 159.3
[M+Na]+ 259.17808 163.7
[M-H]- 235.18158 161.2
[M+NH4]+ 254.22268 176.1
[M+K]+ 275.15202 161.2
[M+H-H2O]+ 219.18612 152.6
[M+HCOO]- 281.18706 180.8
[M+CH3COO]- 295.20271 199.8
[M+Na-2H]- 257.16353 160.8
[M]+ 236.18831 158.5
[M]- 236.18941 158.5
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.