CID 68194799

4-(4-(oxetan-3-yl)piperazin-1-yl)aniline

Structural Information

Molecular Formula
C13H19N3O
SMILES
C1CN(CCN1C2COC2)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H19N3O/c14-11-1-3-12(4-2-11)15-5-7-16(8-6-15)13-9-17-10-13/h1-4,13H,5-10,14H2
InChIKey
NSMYDEYAHKTAGB-UHFFFAOYSA-N
Compound name
4-[4-(oxetan-3-yl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

233.15282 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 150.5
[M+Na]+ 256.142038 154.0
[M-H]- 232.145544 156.2
[M+NH4]+ 251.186643 156.9
[M+K]+ 272.115978 155.1
[M+H-H2O]+ 216.150080 135.4
[M+HCOO]- 278.151021 166.2
[M+CH3COO]- 292.166671 195.3
[M+Na-2H]- 254.127486 154.4
[M]+ 233.15227142 152.9
[M]- 233.15336858 152.9
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