CID 209570

20013-82-5

Structural Information

Molecular Formula
C13H22N2O
SMILES
CCCCNCC(CNC1=CC=CC=C1)O
InChI
InChI=1S/C13H22N2O/c1-2-3-9-14-10-13(16)11-15-12-7-5-4-6-8-12/h4-8,13-16H,2-3,9-11H2,1H3
InChIKey
HJTBSMKEEYFOGP-UHFFFAOYSA-N
Compound name
1-anilino-3-(butylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 153.7
[M+Na]+ 245.16244 156.9
[M-H]- 221.16594 154.9
[M+NH4]+ 240.20704 170.5
[M+K]+ 261.13638 154.0
[M+H-H2O]+ 205.17048 146.5
[M+HCOO]- 267.17142 176.7
[M+CH3COO]- 281.18707 193.5
[M+Na-2H]- 243.14789 158.6
[M]+ 222.17267 152.4
[M]- 222.17377 152.4
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.