CID 551664

29277-73-4

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CC#N)O
InChI
InChI=1S/C14H20N2O2/c1-11(2)16-9-13(17)10-18-14-5-3-12(4-6-14)7-8-15/h3-6,11,13,16-17H,7,9-10H2,1-2H3
InChIKey
VGJIPAKCLDHBAL-UHFFFAOYSA-N
Compound name
2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

248.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 160.0
[M+Na]+ 271.14170 169.2
[M+NH4]+ 266.18630 163.3
[M+K]+ 287.11564 160.7
[M-H]- 247.14520 154.0
[M+Na-2H]- 269.12715 161.8
[M]+ 248.15193 158.5
[M]- 248.15303 158.5
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