CID 21887162

1,2,3,4,5,6-hexahydro-3-benzazocine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC2=CC=CC=C2CCNC1
InChI
InChI=1S/C11H15N/c1-2-5-11-7-9-12-8-3-6-10(11)4-1/h1-2,4-5,12H,3,6-9H2
InChIKey
UPQCFWKOZOXUSC-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexahydro-3-benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

161.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 143.3
[M+Na]+ 184.109668 147.5
[M-H]- 160.113174 144.0
[M+NH4]+ 179.154273 152.1
[M+K]+ 200.083608 147.0
[M+H-H2O]+ 144.117710 139.5
[M+HCOO]- 206.118651 151.4
[M+CH3COO]- 220.134301 148.2
[M+Na-2H]- 182.095116 145.2
[M]+ 161.11990142 140.6
[M]- 161.12099858 140.6
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