CID 36166

4-azatricyclo(4.3.1.1(sup 3,8))undec-4-ene, 5-(2-phenylhydrazino)-, hydrochloride

Structural Information

Molecular Formula
C16H21N3
SMILES
C1C2CC3CC1CC(C2)N=C3NNC4=CC=CC=C4
InChI
InChI=1S/C16H21N3/c1-2-4-14(5-3-1)18-19-16-13-7-11-6-12(8-13)10-15(9-11)17-16/h1-5,11-13,15,18H,6-10H2,(H,17,19)
InChIKey
XWWYVILAVGOVSW-UHFFFAOYSA-N
Compound name
1-(4-azatricyclo[4.3.1.13,8]undec-4-en-5-yl)-2-phenylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.17355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.180826 165.6
[M+Na]+ 278.162768 172.7
[M-H]- 254.166274 168.3
[M+NH4]+ 273.207373 184.4
[M+K]+ 294.136708 168.0
[M+H-H2O]+ 238.170810 164.5
[M+HCOO]- 300.171751 176.5
[M+CH3COO]- 314.187401 174.0
[M+Na-2H]- 276.148216 176.7
[M]+ 255.17300142 163.6
[M]- 255.17409858 163.6
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

No patent data available for this compound.