CID 4738602

1-cyclobutylpiperazine

Structural Information

Molecular Formula
C8H16N2
SMILES
C1CC(C1)N2CCNCC2
InChI
InChI=1S/C8H16N2/c1-2-8(3-1)10-6-4-9-5-7-10/h8-9H,1-7H2
InChIKey
WJJKCJYVIICABH-UHFFFAOYSA-N
Compound name
1-cyclobutylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

724
Patents

140.13135 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 129.0
[M+Na]+ 163.12057 132.0
[M-H]- 139.12407 130.1
[M+NH4]+ 158.16517 140.3
[M+K]+ 179.09451 133.1
[M+H-H2O]+ 123.12861 116.5
[M+HCOO]- 185.12955 143.9
[M+CH3COO]- 199.14520 174.1
[M+Na-2H]- 161.10602 134.1
[M]+ 140.13080 129.4
[M]- 140.13190 129.4
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