CID 24279184

4-(4-cyclopropylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C13H19N3
SMILES
C1CC1N2CCN(CC2)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H19N3/c14-11-1-3-12(4-2-11)15-7-9-16(10-8-15)13-5-6-13/h1-4,13H,5-10,14H2
InChIKey
BNJJOUMQLDDFMK-UHFFFAOYSA-N
Compound name
4-(4-cyclopropylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

217.1579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.165176 153.6
[M+Na]+ 240.147118 160.7
[M-H]- 216.150624 160.0
[M+NH4]+ 235.191723 164.0
[M+K]+ 256.121058 156.0
[M+H-H2O]+ 200.155160 144.4
[M+HCOO]- 262.156101 172.7
[M+CH3COO]- 276.171751 164.1
[M+Na-2H]- 238.132566 157.4
[M]+ 217.15735142 149.4
[M]- 217.15844858 149.4
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