CID 67699479

3-(1-pyrrolidinyl)-2-pentanone

Structural Information

Molecular Formula
C9H17NO
SMILES
CCC(C(=O)C)N1CCCC1
InChI
InChI=1S/C9H17NO/c1-3-9(8(2)11)10-6-4-5-7-10/h9H,3-7H2,1-2H3
InChIKey
RDPXXKUWQXFOHG-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 137.7
[M+Na]+ 178.12023 142.7
[M-H]- 154.12373 139.1
[M+NH4]+ 173.16483 158.8
[M+K]+ 194.09417 142.3
[M+H-H2O]+ 138.12827 131.4
[M+HCOO]- 200.12921 157.1
[M+CH3COO]- 214.14486 177.7
[M+Na-2H]- 176.10568 139.0
[M]+ 155.13046 135.3
[M]- 155.13156 135.3
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