CID 2736229

3644-18-6

Structural Information

Molecular Formula
C8H19N3
SMILES
CN(C)CCN1CCNCC1
InChI
InChI=1S/C8H19N3/c1-10(2)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3
InChIKey
LGDNSGSJKBIVFG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-piperazin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1635
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 138.6
[M+Na]+ 180.14712 142.1
[M-H]- 156.15062 138.1
[M+NH4]+ 175.19172 156.2
[M+K]+ 196.12106 141.5
[M+H-H2O]+ 140.15516 130.8
[M+HCOO]- 202.15610 156.5
[M+CH3COO]- 216.17175 180.5
[M+Na-2H]- 178.13257 143.4
[M]+ 157.15735 133.4
[M]- 157.15845 133.4
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