CID 16641457

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

Structural Information

Molecular Formula
C8H19N3
SMILES
CC(CN)N1CCN(CC1)C
InChI
InChI=1S/C8H19N3/c1-8(7-9)11-5-3-10(2)4-6-11/h8H,3-7,9H2,1-2H3
InChIKey
WQFHGCFNHAPPTM-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 139.1
[M+Na]+ 180.14712 143.7
[M-H]- 156.15062 138.6
[M+NH4]+ 175.19172 156.8
[M+K]+ 196.12106 142.6
[M+H-H2O]+ 140.15516 131.7
[M+HCOO]- 202.15610 156.4
[M+CH3COO]- 216.17175 180.9
[M+Na-2H]- 178.13257 142.1
[M]+ 157.15735 133.3
[M]- 157.15845 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

No literature data available for this compound.

Patent stripe

patents stripe