CID 3153996

70261-82-4

Structural Information

Molecular Formula
C12H19N3
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10,13H2,1H3
InChIKey
NIXCVBFXLJWUTC-UHFFFAOYSA-N
Compound name
4-[(4-methylpiperazin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

814
Patents

205.1579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 149.1
[M+Na]+ 228.147118 154.6
[M-H]- 204.150624 151.9
[M+NH4]+ 223.191723 164.8
[M+K]+ 244.121058 151.0
[M+H-H2O]+ 188.155160 140.3
[M+HCOO]- 250.156101 167.6
[M+CH3COO]- 264.171751 188.8
[M+Na-2H]- 226.132566 153.2
[M]+ 205.15735142 143.3
[M]- 205.15844858 143.3
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