CID 3052885

69382-07-6

Structural Information

Molecular Formula
C12H27N3
SMILES
CCC(C)C(CN)C1CN(CCN1C)C
InChI
InChI=1S/C12H27N3/c1-5-10(2)11(8-13)12-9-14(3)6-7-15(12)4/h10-12H,5-9,13H2,1-4H3
InChIKey
VGENMQHCQGVVME-UHFFFAOYSA-N
Compound name
2-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.2205 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.22778 157.1
[M+Na]+ 236.20972 160.8
[M-H]- 212.21322 156.4
[M+NH4]+ 231.25432 172.8
[M+K]+ 252.18366 159.1
[M+H-H2O]+ 196.21776 149.4
[M+HCOO]- 258.21870 172.0
[M+CH3COO]- 272.23435 195.1
[M+Na-2H]- 234.19517 156.1
[M]+ 213.21995 152.6
[M]- 213.22105 152.6
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

No patent data available for this compound.