CID 7537610

515162-20-6

Structural Information

Molecular Formula
C13H21N3
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)CN
InChI
InChI=1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-11,14H2,1H3
InChIKey
HILINUGDTTXRNZ-UHFFFAOYSA-N
Compound name
[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

219.17355 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.180826 153.5
[M+Na]+ 242.162768 158.6
[M-H]- 218.166274 156.1
[M+NH4]+ 237.207373 168.6
[M+K]+ 258.136708 154.7
[M+H-H2O]+ 202.170810 144.5
[M+HCOO]- 264.171751 171.7
[M+CH3COO]- 278.187401 191.8
[M+Na-2H]- 240.148216 157.1
[M]+ 219.17300142 148.1
[M]- 219.17409858 148.1
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