CID 14140

Alpha-((5-methyl-2-pyridylamino)methyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC1=CN=C(C=C1)NCC(C2=CC=CC=C2)O
InChI
InChI=1S/C14H16N2O/c1-11-7-8-14(15-9-11)16-10-13(17)12-5-3-2-4-6-12/h2-9,13,17H,10H2,1H3,(H,15,16)
InChIKey
PEPAPQLAWVWSMV-UHFFFAOYSA-N
Compound name
2-[(5-methylpyridin-2-yl)amino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 151.8
[M+Na]+ 251.11549 157.8
[M-H]- 227.11899 155.7
[M+NH4]+ 246.16009 167.2
[M+K]+ 267.08943 153.7
[M+H-H2O]+ 211.12353 143.6
[M+HCOO]- 273.12447 173.7
[M+CH3COO]- 287.14012 191.0
[M+Na-2H]- 249.10094 158.1
[M]+ 228.12572 150.0
[M]- 228.12682 150.0
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