CID 14592

Prolintane

Structural Information

Molecular Formula
C15H23N
SMILES
CCCC(CC1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3
InChIKey
OJCPSBCUMRIPFL-UHFFFAOYSA-N
Compound name
1-(1-phenylpentan-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

25
References

2711
Patents

217.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19032 154.5
[M+Na]+ 240.17226 158.2
[M-H]- 216.17576 158.4
[M+NH4]+ 235.21686 172.9
[M+K]+ 256.14620 155.1
[M+H-H2O]+ 200.18030 146.4
[M+HCOO]- 262.18124 174.1
[M+CH3COO]- 276.19689 189.2
[M+Na-2H]- 238.15771 156.1
[M]+ 217.18249 151.7
[M]- 217.18359 151.7
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