CID 20069912

2-(3,3,4-trimethylpiperazin-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C9H21N3
SMILES
CC1(CN(CCN1C)CCN)C
InChI
InChI=1S/C9H21N3/c1-9(2)8-12(5-4-10)7-6-11(9)3/h4-8,10H2,1-3H3
InChIKey
QGDXSTUNWAZMAF-UHFFFAOYSA-N
Compound name
2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

171.17355 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.18083 141.6
[M+Na]+ 194.16277 148.0
[M-H]- 170.16627 141.6
[M+NH4]+ 189.20737 161.3
[M+K]+ 210.13671 146.5
[M+H-H2O]+ 154.17081 135.2
[M+HCOO]- 216.17175 159.6
[M+CH3COO]- 230.18740 183.8
[M+Na-2H]- 192.14822 145.9
[M]+ 171.17300 137.6
[M]- 171.17410 137.6
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