CID 55271480

1255640-65-3

Structural Information

Molecular Formula
C12H18N2
SMILES
CNCCNCC1=CC=C(C=C1)C=C
InChI
InChI=1S/C12H18N2/c1-3-11-4-6-12(7-5-11)10-14-9-8-13-2/h3-7,13-14H,1,8-10H2,2H3
InChIKey
CBCWMRSMUMTGAX-UHFFFAOYSA-N
Compound name
N'-[(4-ethenylphenyl)methyl]-N-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

190.147 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 143.9
[M+Na]+ 213.13622 149.5
[M-H]- 189.13972 147.1
[M+NH4]+ 208.18082 163.0
[M+K]+ 229.11016 146.1
[M+H-H2O]+ 173.14426 137.2
[M+HCOO]- 235.14520 169.7
[M+CH3COO]- 249.16085 190.4
[M+Na-2H]- 211.12167 150.4
[M]+ 190.14645 143.0
[M]- 190.14755 143.0
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