CID 3018633

Einecs 278-363-1

Structural Information

Molecular Formula
C14H23N3
SMILES
C=CC1=CC=C(C=C1)CCN(CCN)CCN
InChI
InChI=1S/C14H23N3/c1-2-13-3-5-14(6-4-13)7-10-17(11-8-15)12-9-16/h2-6H,1,7-12,15-16H2
InChIKey
PKFGXDLEBNPVAF-UHFFFAOYSA-N
Compound name
N'-(2-aminoethyl)-N'-[2-(4-ethenylphenyl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.1892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.196476 157.8
[M+Na]+ 256.178418 161.8
[M-H]- 232.181924 161.0
[M+NH4]+ 251.223023 174.9
[M+K]+ 272.152358 158.7
[M+H-H2O]+ 216.186460 150.0
[M+HCOO]- 278.187401 183.1
[M+CH3COO]- 292.203051 203.7
[M+Na-2H]- 254.163866 160.5
[M]+ 233.18865142 156.1
[M]- 233.18974858 156.1
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