CID 11321368

253175-42-7

Structural Information

Molecular Formula
C9H19N3O
SMILES
CC(C)(C)NC(=O)N1CCNCC1
InChI
InChI=1S/C9H19N3O/c1-9(2,3)11-8(13)12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)
InChIKey
MFQDOVOQMLPMEW-UHFFFAOYSA-N
Compound name
N-tert-butylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

185.15282 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 146.3
[M+Na]+ 208.142038 150.0
[M-H]- 184.145544 144.8
[M+NH4]+ 203.186643 162.3
[M+K]+ 224.115978 148.5
[M+H-H2O]+ 168.150080 139.4
[M+HCOO]- 230.151021 161.3
[M+CH3COO]- 244.166671 180.3
[M+Na-2H]- 206.127486 150.8
[M]+ 185.15227142 139.6
[M]- 185.15336858 139.6
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