CID 16643482

1-(4-methylpiperazin-1-yl)propan-2-amine

Structural Information

Molecular Formula
C8H19N3
SMILES
CC(CN1CCN(CC1)C)N
InChI
InChI=1S/C8H19N3/c1-8(9)7-11-5-3-10(2)4-6-11/h8H,3-7,9H2,1-2H3
InChIKey
MWCFQIQMAIQSCI-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

157
Patents

157.1579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.16518 137.6
[M+Na]+ 180.14712 146.9
[M+NH4]+ 175.19172 145.3
[M+K]+ 196.12106 141.7
[M-H]- 156.15062 138.6
[M+Na-2H]- 178.13257 141.5
[M]+ 157.15735 138.8
[M]- 157.15845 138.8
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