CID 36166

5-(2-phenylhydrazino)-4-azatricyclo(4.3.1.1(sup 3,8))undec-4-ene 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]+ 256.18083 165.6
[M+Na]+ 278.16277 172.7
[M-H]- 254.16627 168.3
[M+NH4]+ 273.20737 184.4
[M+K]+ 294.13671 168.0
[M+H-H2O]+ 238.17081 164.5
[M+HCOO]- 300.17175 176.5
[M+CH3COO]- 314.18740 174.0
[M+Na-2H]- 276.14822 176.7
[M]+ 255.17300 163.6
[M]- 255.17410 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.