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

207
Patents

217.1579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.16518 153.6
[M+Na]+ 240.14712 160.7
[M-H]- 216.15062 160.0
[M+NH4]+ 235.19172 164.0
[M+K]+ 256.12106 156.0
[M+H-H2O]+ 200.15516 144.4
[M+HCOO]- 262.15610 172.7
[M+CH3COO]- 276.17175 164.1
[M+Na-2H]- 238.13257 157.4
[M]+ 217.15735 149.4
[M]- 217.15845 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