CID 22393735

Propyl piperazine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCCOC(=O)N1CCNCC1
InChI
InChI=1S/C8H16N2O2/c1-2-7-12-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKey
IGXBNWXKQPCCCJ-UHFFFAOYSA-N
Compound name
propyl piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

172.12119 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.6
[M+Na]+ 195.11041 145.0
[M-H]- 171.11391 138.9
[M+NH4]+ 190.15501 157.2
[M+K]+ 211.08435 143.8
[M+H-H2O]+ 155.11845 133.3
[M+HCOO]- 217.11939 156.6
[M+CH3COO]- 231.13504 174.8
[M+Na-2H]- 193.09586 144.5
[M]+ 172.12064 136.3
[M]- 172.12174 136.3
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