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

4
Patents

247.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 160.2
[M+Na]+ 270.12130 166.7
[M-H]- 246.12480 162.7
[M+NH4]+ 265.16590 174.8
[M+K]+ 286.09524 164.6
[M+H-H2O]+ 230.12934 146.4
[M+HCOO]- 292.13028 180.1
[M+CH3COO]- 306.14593 210.3
[M+Na-2H]- 268.10675 162.9
[M]+ 247.13153 155.7
[M]- 247.13263 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