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]+ 232.18083 157.6
[M+Na]+ 254.16277 164.3
[M-H]- 230.16627 163.8
[M+NH4]+ 249.20737 167.5
[M+K]+ 270.13671 159.4
[M+H-H2O]+ 214.17081 148.2
[M+HCOO]- 276.17175 176.4
[M+CH3COO]- 290.18740 167.7
[M+Na-2H]- 252.14822 160.9
[M]+ 231.17300 153.7
[M]- 231.17410 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.