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 148.2
[M+Na]+ 214.15662 158.9
[M+NH4]+ 209.20122 161.6
[M+K]+ 230.13056 149.0
[M-H]- 190.16012 152.1
[M+Na-2H]- 212.14207 156.1
[M]+ 191.16685 151.1
[M]- 191.16795 151.1
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.