CID 568700

2-phenylpropane-1,3-diamine dihydrochloride

Structural Information

Molecular Formula
C9H14N2
SMILES
C1=CC=C(C=C1)C(CN)CN
InChI
InChI=1S/C9H14N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9H,6-7,10-11H2
InChIKey
JSDVLFNPSDTHGJ-UHFFFAOYSA-N
Compound name
2-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

150.11569 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 133.1
[M+Na]+ 173.10491 143.5
[M+NH4]+ 168.14951 141.8
[M+K]+ 189.07885 137.5
[M-H]- 149.10841 136.4
[M+Na-2H]- 171.09036 139.9
[M]+ 150.11514 135.3
[M]- 150.11624 135.3
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

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