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]+ 172.144436 141.7
[M+Na]+ 194.126378 145.1
[M-H]- 170.129884 140.1
[M+NH4]+ 189.170983 158.0
[M+K]+ 210.100318 143.8
[M+H-H2O]+ 154.134420 134.3
[M+HCOO]- 216.135361 157.6
[M+CH3COO]- 230.151011 178.6
[M+Na-2H]- 192.111826 144.8
[M]+ 171.13661142 134.6
[M]- 171.13770858 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