CID 205262

17713-05-2

Structural Information

Molecular Formula
C13H21N
SMILES
CN1CC23CCCCC2(C1)CC=CC3
InChI
InChI=1S/C13H21N/c1-14-10-12-6-2-3-7-13(12,11-14)9-5-4-8-12/h2-3H,4-11H2,1H3
InChIKey
UNENWFCCCMUXDX-UHFFFAOYSA-N
Compound name
12-methyl-12-azatricyclo[4.4.3.01,6]tridec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 147.1
[M+Na]+ 214.15662 151.9
[M-H]- 190.16012 151.4
[M+NH4]+ 209.20122 171.5
[M+K]+ 230.13056 148.8
[M+H-H2O]+ 174.16466 139.5
[M+HCOO]- 236.16560 163.1
[M+CH3COO]- 250.18125 158.5
[M+Na-2H]- 212.14207 151.6
[M]+ 191.16685 139.5
[M]- 191.16795 139.5
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.