CID 27446

Volazocine

Structural Information

Molecular Formula
C18H25N
SMILES
CC1C2CC3=CC=CC=C3C1(CCN2CC4CC4)C
InChI
InChI=1S/C18H25N/c1-13-17-11-15-5-3-4-6-16(15)18(13,2)9-10-19(17)12-14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3
InChIKey
SVKVWRTVTPUQBY-UHFFFAOYSA-N
Compound name
10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

438
Patents

255.1987 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.205976 166.7
[M+Na]+ 278.187918 174.7
[M-H]- 254.191424 171.7
[M+NH4]+ 273.232523 182.0
[M+K]+ 294.161858 169.7
[M+H-H2O]+ 238.195960 158.3
[M+HCOO]- 300.196901 180.3
[M+CH3COO]- 314.212551 176.7
[M+Na-2H]- 276.173366 171.4
[M]+ 255.19815142 165.9
[M]- 255.19924858 165.9
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