CID 116049

63980-52-9

Structural Information

Molecular Formula
C8H17N3O
SMILES
CN1CCN(CC1)C(=O)N(C)C
InChI
InChI=1S/C8H17N3O/c1-9(2)8(12)11-6-4-10(3)5-7-11/h4-7H2,1-3H3
InChIKey
OUVVCIBIGUCHRM-UHFFFAOYSA-N
Compound name
N,N,4-trimethylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

171.13716 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.144436 139.9
[M+Na]+ 194.126378 145.2
[M-H]- 170.129884 141.6
[M+NH4]+ 189.170983 158.1
[M+K]+ 210.100318 145.7
[M+H-H2O]+ 154.134420 132.4
[M+HCOO]- 216.135361 158.9
[M+CH3COO]- 230.151011 184.9
[M+Na-2H]- 192.111826 143.4
[M]+ 171.13661142 137.1
[M]- 171.13770858 137.1
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