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 150.9
[M+Na]+ 227.15186 155.1
[M-H]- 203.15536 152.0
[M+NH4]+ 222.19646 159.2
[M+K]+ 243.12580 154.5
[M+H-H2O]+ 187.15990 146.7
[M+HCOO]- 249.16084 159.5
[M+CH3COO]- 263.17649 155.4
[M+Na-2H]- 225.13731 151.8
[M]+ 204.16209 148.8
[M]- 204.16319 148.8
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.