CID 107079

2,2'-(m-tolylimino)dipropanol

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC1=CC(=CC=C1)N(C(C)CO)C(C)CO
InChI
InChI=1S/C13H21NO2/c1-10-5-4-6-13(7-10)14(11(2)8-15)12(3)9-16/h4-7,11-12,15-16H,8-9H2,1-3H3
InChIKey
JNTBFQGTGSKVPY-UHFFFAOYSA-N
Compound name
2-[N-(1-hydroxypropan-2-yl)-3-methylanilino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

223.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 153.5
[M+Na]+ 246.14645 163.2
[M+NH4]+ 241.19105 160.7
[M+K]+ 262.12039 158.6
[M-H]- 222.14995 154.9
[M+Na-2H]- 244.13190 158.0
[M]+ 223.15668 155.0
[M]- 223.15778 155.0
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