CID 458694

100370-05-6

Structural Information

Molecular Formula
C12H17NO2
SMILES
C1CC2=CC=CC=C2N(C1)CC(CO)O
InChI
InChI=1S/C12H17NO2/c14-9-11(15)8-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,14-15H,3,5,7-9H2
InChIKey
BWABCSDNVLLIEQ-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-2H-quinolin-1-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

207.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 146.8
[M+Na]+ 230.115148 151.9
[M-H]- 206.118654 146.3
[M+NH4]+ 225.159753 163.8
[M+K]+ 246.089088 148.6
[M+H-H2O]+ 190.123190 140.1
[M+HCOO]- 252.124131 162.4
[M+CH3COO]- 266.139781 182.0
[M+Na-2H]- 228.100596 151.8
[M]+ 207.12538142 143.0
[M]- 207.12647858 143.0
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