CID 76498

3077-13-2

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(CN(CC(C)O)C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO2/c1-10(14)8-13(9-11(2)15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3
InChIKey
FKOMNQCOHKHUCP-UHFFFAOYSA-N
Compound name
1-[N-(2-hydroxypropyl)anilino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1911
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 150.1
[M+Na]+ 232.13081 154.0
[M-H]- 208.13431 151.8
[M+NH4]+ 227.17541 167.6
[M+K]+ 248.10475 153.0
[M+H-H2O]+ 192.13885 143.7
[M+HCOO]- 254.13979 170.6
[M+CH3COO]- 268.15544 189.3
[M+Na-2H]- 230.11626 152.6
[M]+ 209.14104 149.4
[M]- 209.14214 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe