CID 16740267

N-(propan-2-yl)piperazine-1-carboxamide hydrochloride

Structural Information

Molecular Formula
C8H17N3O
SMILES
CC(C)NC(=O)N1CCNCC1
InChI
InChI=1S/C8H17N3O/c1-7(2)10-8(12)11-5-3-9-4-6-11/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKey
JJRVDRJMXJJPDM-UHFFFAOYSA-N
Compound name
N-propan-2-ylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

171.13716 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.14444 141.7
[M+Na]+ 194.12638 145.1
[M-H]- 170.12988 140.1
[M+NH4]+ 189.17098 158.0
[M+K]+ 210.10032 143.8
[M+H-H2O]+ 154.13442 134.3
[M+HCOO]- 216.13536 157.6
[M+CH3COO]- 230.15101 178.6
[M+Na-2H]- 192.11183 144.8
[M]+ 171.13661 134.6
[M]- 171.13771 134.6
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