CID 101557

1,2-propanediol, 3-(ethyl(3-methylphenyl)amino)-

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCN(CC(CO)O)C1=CC=CC(=C1)C
InChI
InChI=1S/C12H19NO2/c1-3-13(8-12(15)9-14)11-6-4-5-10(2)7-11/h4-7,12,14-15H,3,8-9H2,1-2H3
InChIKey
SJLAXYZNPAEOOM-UHFFFAOYSA-N
Compound name
3-(N-ethyl-3-methylanilino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.3
[M+Na]+ 232.13081 154.5
[M-H]- 208.13431 151.4
[M+NH4]+ 227.17541 167.3
[M+K]+ 248.10475 152.9
[M+H-H2O]+ 192.13885 143.1
[M+HCOO]- 254.13979 170.9
[M+CH3COO]- 268.15544 189.6
[M+Na-2H]- 230.11626 152.4
[M]+ 209.14104 149.7
[M]- 209.14214 149.7
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

patents stripe