CID 113349

92-64-8

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1=CC=C(C=C1)N(CCC#N)CCO
InChI
InChI=1S/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2
InChIKey
WZJJWQVBLSPALW-UHFFFAOYSA-N
Compound name
3-[N-(2-hydroxyethyl)anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

309
Patents

190.11061 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 144.0
[M+Na]+ 213.09983 151.6
[M-H]- 189.10333 146.6
[M+NH4]+ 208.14443 161.1
[M+K]+ 229.07377 149.0
[M+H-H2O]+ 173.10787 130.9
[M+HCOO]- 235.10881 164.4
[M+CH3COO]- 249.12446 198.1
[M+Na-2H]- 211.08528 149.6
[M]+ 190.11006 139.4
[M]- 190.11116 139.4
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