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]+ 205.169916 150.9
[M+Na]+ 227.151858 155.1
[M-H]- 203.155364 152.0
[M+NH4]+ 222.196463 159.2
[M+K]+ 243.125798 154.5
[M+H-H2O]+ 187.159900 146.7
[M+HCOO]- 249.160841 159.5
[M+CH3COO]- 263.176491 155.4
[M+Na-2H]- 225.137306 151.8
[M]+ 204.16209142 148.8
[M]- 204.16318858 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.