CID 107079

Einecs 268-315-8

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

38
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 154.2
[M+Na]+ 246.14645 158.7
[M-H]- 222.14995 156.1
[M+NH4]+ 241.19105 171.5
[M+K]+ 262.12039 157.4
[M+H-H2O]+ 206.15449 147.8
[M+HCOO]- 268.15543 174.4
[M+CH3COO]- 282.17108 193.5
[M+Na-2H]- 244.13190 155.5
[M]+ 223.15668 154.2
[M]- 223.15778 154.2
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