CID 127574854

N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CN1CCN(CC1)C(=O)NCCCO
InChI
InChI=1S/C9H19N3O2/c1-11-4-6-12(7-5-11)9(14)10-3-2-8-13/h13H,2-8H2,1H3,(H,10,14)
InChIKey
WNJNXVUPTXAHLC-UHFFFAOYSA-N
Compound name
N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.14772 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.154996 148.5
[M+Na]+ 224.136938 152.5
[M-H]- 200.140444 147.0
[M+NH4]+ 219.181543 163.9
[M+K]+ 240.110878 151.0
[M+H-H2O]+ 184.144980 140.8
[M+HCOO]- 246.145921 165.2
[M+CH3COO]- 260.161571 184.0
[M+Na-2H]- 222.122386 151.6
[M]+ 201.14717142 144.2
[M]- 201.14826858 144.2
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.