CID 3019237

N-piperidin-4-ylbenzene-1,2-diamine

Structural Information

Molecular Formula
C11H17N3
SMILES
C1CNCCC1NC2=CC=CC=C2N
InChI
InChI=1S/C11H17N3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13-14H,5-8,12H2
InChIKey
FRPNIZFUGKDSSS-UHFFFAOYSA-N
Compound name
2-N-piperidin-4-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

191.14224 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.149516 142.3
[M+Na]+ 214.131458 146.1
[M-H]- 190.134964 144.9
[M+NH4]+ 209.176063 158.5
[M+K]+ 230.105398 141.9
[M+H-H2O]+ 174.139500 134.5
[M+HCOO]- 236.140441 162.1
[M+CH3COO]- 250.156091 184.4
[M+Na-2H]- 212.116906 147.8
[M]+ 191.14169142 132.8
[M]- 191.14278858 132.8
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