CID 3054969

Butylamine, 4-(4-piperidinophenyl)-, carbonate (3:1)

Structural Information

Molecular Formula
C15H24N2
SMILES
C1CCN(CC1)C2=CC=C(C=C2)CCCCN
InChI
InChI=1S/C15H24N2/c16-11-3-2-6-14-7-9-15(10-8-14)17-12-4-1-5-13-17/h7-10H,1-6,11-13,16H2
InChIKey
XWMFJKRCAWQHTR-UHFFFAOYSA-N
Compound name
4-(4-piperidin-1-ylphenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.19395 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 157.2
[M+Na]+ 255.18317 160.4
[M-H]- 231.18667 160.5
[M+NH4]+ 250.22777 172.8
[M+K]+ 271.15711 156.3
[M+H-H2O]+ 215.19121 148.5
[M+HCOO]- 277.19215 176.0
[M+CH3COO]- 291.20780 194.0
[M+Na-2H]- 253.16862 160.4
[M]+ 232.19340 151.5
[M]- 232.19450 151.5
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

patents stripe