CID 79986

1,4-dipyrrolidin-1-ylbutan-1-one

Structural Information

Molecular Formula
C12H22N2O
SMILES
C1CCN(C1)CCCC(=O)N2CCCC2
InChI
InChI=1S/C12H22N2O/c15-12(14-10-3-4-11-14)6-5-9-13-7-1-2-8-13/h1-11H2
InChIKey
NJBNFNJNWNEJMR-UHFFFAOYSA-N
Compound name
1,4-dipyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.17322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.180496 153.9
[M+Na]+ 233.162438 156.9
[M-H]- 209.165944 156.3
[M+NH4]+ 228.207043 172.7
[M+K]+ 249.136378 155.5
[M+H-H2O]+ 193.170480 145.4
[M+HCOO]- 255.171421 171.4
[M+CH3COO]- 269.187071 184.6
[M+Na-2H]- 231.147886 152.3
[M]+ 210.17267142 149.1
[M]- 210.17376858 149.1
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