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]+ 205.16992 146.9
[M+Na]+ 227.15186 151.7
[M-H]- 203.15536 149.6
[M+NH4]+ 222.19646 166.0
[M+K]+ 243.12580 148.1
[M+H-H2O]+ 187.15990 140.9
[M+HCOO]- 249.16084 166.4
[M+CH3COO]- 263.17649 191.5
[M+Na-2H]- 225.13731 152.9
[M]+ 204.16209 140.7
[M]- 204.16319 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