CID 108703

Einecs 259-618-6

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC(=O)NC1=CC(=CC=C1)N(CCC#N)CCO
InChI
InChI=1S/C13H17N3O2/c1-11(18)15-12-4-2-5-13(10-12)16(8-9-17)7-3-6-14/h2,4-5,10,17H,3,7-9H2,1H3,(H,15,18)
InChIKey
ITCQFSOCCFSHHU-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

247.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 160.2
[M+Na]+ 270.121298 166.7
[M-H]- 246.124804 162.7
[M+NH4]+ 265.165903 174.8
[M+K]+ 286.095238 164.6
[M+H-H2O]+ 230.129340 146.4
[M+HCOO]- 292.130281 180.1
[M+CH3COO]- 306.145931 210.3
[M+Na-2H]- 268.106746 162.9
[M]+ 247.13153142 155.7
[M]- 247.13262858 155.7
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