CID 113132

Einecs 264-009-3

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CCNC(=O)OCCN(CCC#N)C1=CC=CC=C1
InChI
InChI=1S/C14H19N3O2/c1-2-16-14(18)19-12-11-17(10-6-9-15)13-7-4-3-5-8-13/h3-5,7-8H,2,6,10-12H2,1H3,(H,16,18)
InChIKey
RQMOPOXAUBOEEP-UHFFFAOYSA-N
Compound name
2-[N-(2-cyanoethyl)anilino]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 163.3
[M+Na]+ 284.13696 169.2
[M-H]- 260.14046 166.6
[M+NH4]+ 279.18156 177.9
[M+K]+ 300.11090 167.3
[M+H-H2O]+ 244.14500 148.8
[M+HCOO]- 306.14594 184.4
[M+CH3COO]- 320.16159 213.6
[M+Na-2H]- 282.12241 166.8
[M]+ 261.14719 160.5
[M]- 261.14829 160.5
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