CID 3014137

2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenol hydrochloride

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)NCC(COC1=CC=CC=C1O)O
InChI
InChI=1S/C12H19NO3/c1-9(2)13-7-10(14)8-16-12-6-4-3-5-11(12)15/h3-6,9-10,13-15H,7-8H2,1-2H3
InChIKey
BBBJVUYZNPTHJG-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 152.6
[M+Na]+ 248.12571 157.2
[M-H]- 224.12921 153.1
[M+NH4]+ 243.17031 169.0
[M+K]+ 264.09965 155.3
[M+H-H2O]+ 208.13375 146.3
[M+HCOO]- 270.13469 172.8
[M+CH3COO]- 284.15034 189.2
[M+Na-2H]- 246.11116 155.2
[M]+ 225.13594 152.5
[M]- 225.13704 152.5
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

patents stripe