CID 377679

100310-99-4

Structural Information

Molecular Formula
C13H20N2
SMILES
C1CCC2=CC=CC=C2N(CC1)CCN
InChI
InChI=1S/C13H20N2/c14-9-11-15-10-5-1-2-6-12-7-3-4-8-13(12)15/h3-4,7-8H,1-2,5-6,9-11,14H2
InChIKey
OCMVPNDICGOECH-UHFFFAOYSA-N
Compound name
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.16264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 146.5
[M+Na]+ 227.15186 150.3
[M+NH4]+ 222.19646 149.6
[M+K]+ 243.12580 149.2
[M-H]- 203.15536 147.7
[M+Na-2H]- 225.13731 149.8
[M]+ 204.16209 147.3
[M]- 204.16319 147.3
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

No patent data available for this compound.