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 178.6
[M+Na]+ 332.21962 181.6
[M-H]- 308.22312 178.8
[M+NH4]+ 327.26422 191.9
[M+K]+ 348.19356 179.7
[M+H-H2O]+ 292.22766 172.3
[M+HCOO]- 354.22860 194.2
[M+CH3COO]- 368.24425 209.8
[M+Na-2H]- 330.20507 177.1
[M]+ 309.22985 179.9
[M]- 309.23095 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.