CID 3047413

Vufb-10546

Structural Information

Molecular Formula
C13H17N
SMILES
CN1CCC2=C(C1)C=C3CCCC3=C2
InChI
InChI=1S/C13H17N/c1-14-6-5-12-7-10-3-2-4-11(10)8-13(12)9-14/h7-8H,2-6,9H2,1H3
InChIKey
PNCAEBSSCJRUFJ-UHFFFAOYSA-N
Compound name
2-methyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 142.2
[M+Na]+ 210.12532 155.2
[M+NH4]+ 205.16992 153.2
[M+K]+ 226.09926 148.6
[M-H]- 186.12882 145.7
[M+Na-2H]- 208.11077 147.4
[M]+ 187.13555 145.1
[M]- 187.13665 145.1
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.