CID 55803

Alpha-((butylamino)methyl)-3-hydroxybenzyl alcohol hydrochloride

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCCCNCC(C1=CC(=CC=C1)O)O
InChI
InChI=1S/C12H19NO2/c1-2-3-7-13-9-12(15)10-5-4-6-11(14)8-10/h4-6,8,12-15H,2-3,7,9H2,1H3
InChIKey
FAGVBCRKWPXYRX-UHFFFAOYSA-N
Compound name
3-[2-(butylamino)-1-hydroxyethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

209.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.2
[M+Na]+ 232.13081 154.2
[M-H]- 208.13431 149.7
[M+NH4]+ 227.17541 166.5
[M+K]+ 248.10475 151.2
[M+H-H2O]+ 192.13885 143.1
[M+HCOO]- 254.13979 170.2
[M+CH3COO]- 268.15544 186.1
[M+Na-2H]- 230.11626 153.1
[M]+ 209.14104 148.3
[M]- 209.14214 148.3
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

patents stripe