CID 202123

7532-60-7

Structural Information

Molecular Formula
C14H24N2O
SMILES
CCCCNCC(CNC1=CC=C(C=C1)C)O
InChI
InChI=1S/C14H24N2O/c1-3-4-9-15-10-14(17)11-16-13-7-5-12(2)6-8-13/h5-8,14-17H,3-4,9-11H2,1-2H3
InChIKey
LVUIVGRUWGKZII-UHFFFAOYSA-N
Compound name
1-(butylamino)-3-(4-methylanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.18886 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.196136 158.5
[M+Na]+ 259.178078 162.1
[M-H]- 235.181584 159.9
[M+NH4]+ 254.222683 175.0
[M+K]+ 275.152018 159.0
[M+H-H2O]+ 219.186120 151.3
[M+HCOO]- 281.187061 181.1
[M+CH3COO]- 295.202711 197.7
[M+Na-2H]- 257.163526 162.0
[M]+ 236.18831142 157.9
[M]- 236.18940858 157.9
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.