CID 416544

73826-02-5

Structural Information

Molecular Formula
C18H31NO3
SMILES
CCC(C)(C)C1=CC(=C(C=C1)O)CN(CC(C)O)CC(C)O
InChI
InChI=1S/C18H31NO3/c1-6-18(4,5)16-7-8-17(22)15(9-16)12-19(10-13(2)20)11-14(3)21/h7-9,13-14,20-22H,6,10-12H2,1-5H3
InChIKey
HTXPNHOPRXCELS-UHFFFAOYSA-N
Compound name
2-[[bis(2-hydroxypropyl)amino]methyl]-4-(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 178.1
[M+Na]+ 332.21962 185.7
[M+NH4]+ 327.26422 183.2
[M+K]+ 348.19356 182.3
[M-H]- 308.22312 177.6
[M+Na-2H]- 330.20507 180.0
[M]+ 309.22985 178.7
[M]- 309.23095 178.7
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.