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]+ 310.237676 178.6
[M+Na]+ 332.219618 181.6
[M-H]- 308.223124 178.8
[M+NH4]+ 327.264223 191.9
[M+K]+ 348.193558 179.7
[M+H-H2O]+ 292.227660 172.3
[M+HCOO]- 354.228601 194.2
[M+CH3COO]- 368.244251 209.8
[M+Na-2H]- 330.205066 177.1
[M]+ 309.22985142 179.9
[M]- 309.23094858 179.9
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.