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]+ 192.174676 147.1
[M+Na]+ 214.156618 151.9
[M-H]- 190.160124 151.4
[M+NH4]+ 209.201223 171.5
[M+K]+ 230.130558 148.8
[M+H-H2O]+ 174.164660 139.5
[M+HCOO]- 236.165601 163.1
[M+CH3COO]- 250.181251 158.5
[M+Na-2H]- 212.142066 151.6
[M]+ 191.16685142 139.5
[M]- 191.16794858 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.