CID 15107

N-(1-naphthyl)ethylenediamine

Structural Information

Molecular Formula
C12H14N2
SMILES
C1=CC=C2C(=C1)C=CC=C2NCCN
InChI
InChI=1S/C12H14N2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9,13H2
InChIKey
NULAJYZBOLVQPQ-UHFFFAOYSA-N
Compound name
N'-naphthalen-1-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

247
References

5663
Patents

186.11569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 138.3
[M+Na]+ 209.10491 145.3
[M-H]- 185.10841 142.3
[M+NH4]+ 204.14951 158.5
[M+K]+ 225.07885 141.3
[M+H-H2O]+ 169.11295 131.8
[M+HCOO]- 231.11389 163.3
[M+CH3COO]- 245.12954 188.0
[M+Na-2H]- 207.09036 147.4
[M]+ 186.11514 136.1
[M]- 186.11624 136.1
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