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

39
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

No literature data available for this compound.

Patent stripe

patents stripe