CID 9816524

Ah-9700

Structural Information

Molecular Formula
C18H25N
SMILES
CC1=CC2=C(C=C1C)C=C(CC2)CCN3CCCC3
InChI
InChI=1S/C18H25N/c1-14-11-17-6-5-16(13-18(17)12-15(14)2)7-10-19-8-3-4-9-19/h11-13H,3-10H2,1-2H3
InChIKey
XBBXZKVUHBAFSA-UHFFFAOYSA-N
Compound name
1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

255.1987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 163.7
[M+Na]+ 278.18792 177.0
[M+NH4]+ 273.23252 173.8
[M+K]+ 294.16186 169.5
[M-H]- 254.19142 168.7
[M+Na-2H]- 276.17337 170.1
[M]+ 255.19815 167.1
[M]- 255.19925 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe