CID 22622231

2-(piperidin-4-yl)aniline

Structural Information

Molecular Formula
C11H16N2
SMILES
C1CNCCC1C2=CC=CC=C2N
InChI
InChI=1S/C11H16N2/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-4,9,13H,5-8,12H2
InChIKey
NCVKHJZWDQYPQR-UHFFFAOYSA-N
Compound name
2-piperidin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

176.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 139.7
[M+Na]+ 199.12057 144.3
[M-H]- 175.12407 142.4
[M+NH4]+ 194.16517 156.9
[M+K]+ 215.09451 140.2
[M+H-H2O]+ 159.12861 132.2
[M+HCOO]- 221.12955 158.4
[M+CH3COO]- 235.14520 150.8
[M+Na-2H]- 197.10602 144.7
[M]+ 176.13080 130.8
[M]- 176.13190 130.8
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