CID 205264

4a,8a-(methaniminomethano)naphthalene, 10-(cyclopropylmethyl)-1,4,5,8-tetrahydro-, hydrochloride

Structural Information

Molecular Formula
C16H23N
SMILES
C1CC1CN2CC34CC=CCC3(C2)CC=CC4
InChI
InChI=1S/C16H23N/c1-2-8-16-10-4-3-9-15(16,7-1)12-17(13-16)11-14-5-6-14/h1-4,14H,5-13H2
InChIKey
UUNTVONBIAZEKL-UHFFFAOYSA-N
Compound name
12-(cyclopropylmethyl)-12-azatricyclo[4.4.3.01,6]trideca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 158.4
[M+Na]+ 252.172258 164.7
[M-H]- 228.175764 166.1
[M+NH4]+ 247.216863 176.0
[M+K]+ 268.146198 161.7
[M+H-H2O]+ 212.180300 150.4
[M+HCOO]- 274.181241 174.6
[M+CH3COO]- 288.196891 169.1
[M+Na-2H]- 250.157706 162.2
[M]+ 229.18249142 154.6
[M]- 229.18358858 154.6
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.