CID 28800303

3-[4-(cyclopropylmethyl)piperazin-1-yl]aniline

Structural Information

Molecular Formula
C14H21N3
SMILES
C1CC1CN2CCN(CC2)C3=CC=CC(=C3)N
InChI
InChI=1S/C14H21N3/c15-13-2-1-3-14(10-13)17-8-6-16(7-9-17)11-12-4-5-12/h1-3,10,12H,4-9,11,15H2
InChIKey
YKKXALRLOPTYEL-UHFFFAOYSA-N
Compound name
3-[4-(cyclopropylmethyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.17355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.180826 157.6
[M+Na]+ 254.162768 164.3
[M-H]- 230.166274 163.8
[M+NH4]+ 249.207373 167.5
[M+K]+ 270.136708 159.4
[M+H-H2O]+ 214.170810 148.2
[M+HCOO]- 276.171751 176.4
[M+CH3COO]- 290.187401 167.7
[M+Na-2H]- 252.148216 160.9
[M]+ 231.17300142 153.7
[M]- 231.17409858 153.7
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

No patent data available for this compound.