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

199
Patents

157.1579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.165176 139.1
[M+Na]+ 180.147118 143.7
[M-H]- 156.150624 138.6
[M+NH4]+ 175.191723 156.8
[M+K]+ 196.121058 142.6
[M+H-H2O]+ 140.155160 131.7
[M+HCOO]- 202.156101 156.4
[M+CH3COO]- 216.171751 180.9
[M+Na-2H]- 178.132566 142.1
[M]+ 157.15735142 133.3
[M]- 157.15844858 133.3
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