CID 3052971

69440-56-8

Structural Information

Molecular Formula
C13H20N2
SMILES
CC(CN)(C1=CC2=C(CCCC2)C=C1)N
InChI
InChI=1S/C13H20N2/c1-13(15,9-14)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9,14-15H2,1H3
InChIKey
IEBRCGJQUGYYCT-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.16264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 146.9
[M+Na]+ 227.151858 151.7
[M-H]- 203.155364 149.6
[M+NH4]+ 222.196463 166.0
[M+K]+ 243.125798 148.1
[M+H-H2O]+ 187.159900 140.9
[M+HCOO]- 249.160841 166.4
[M+CH3COO]- 263.176491 191.5
[M+Na-2H]- 225.137306 152.9
[M]+ 204.16209142 140.7
[M]- 204.16318858 140.7
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