CID 132989547

Th-pbp

Structural Information

Molecular Formula
C18H25NO
SMILES
CCC(C(=O)C1=CC2=C(CCCC2)C=C1)N3CCCC3
InChI
InChI=1S/C18H25NO/c1-2-17(19-11-5-6-12-19)18(20)16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3
InChIKey
DNKYSKGKPOHTKY-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 168.0
[M+Na]+ 294.18282 170.6
[M-H]- 270.18632 172.3
[M+NH4]+ 289.22742 184.9
[M+K]+ 310.15676 166.6
[M+H-H2O]+ 254.19086 159.7
[M+HCOO]- 316.19180 182.8
[M+CH3COO]- 330.20745 199.5
[M+Na-2H]- 292.16827 166.9
[M]+ 271.19305 162.5
[M]- 271.19415 162.5
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.