CID 18695004

Schembl421404

Structural Information

Molecular Formula
C9H21N3
SMILES
CC(N1CCN(CC1)C)N(C)C
InChI
InChI=1S/C9H21N3/c1-9(10(2)3)12-7-5-11(4)6-8-12/h9H,5-8H2,1-4H3
InChIKey
LGRZMVLKUDUPSB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(4-methylpiperazin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1360
Patents

171.17355 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.180826 142.4
[M+Na]+ 194.162768 146.8
[M-H]- 170.166274 143.8
[M+NH4]+ 189.207373 160.5
[M+K]+ 210.136708 147.2
[M+H-H2O]+ 154.170810 134.7
[M+HCOO]- 216.171751 160.5
[M+CH3COO]- 230.187401 188.2
[M+Na-2H]- 192.148216 145.3
[M]+ 171.17300142 139.3
[M]- 171.17409858 139.3
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