CID 64868866

2-(1-pyrrolidinyl)-3-pentanone

Structural Information

Molecular Formula
C9H17NO
SMILES
CCC(=O)C(C)N1CCCC1
InChI
InChI=1S/C9H17NO/c1-3-9(11)8(2)10-6-4-5-7-10/h8H,3-7H2,1-2H3
InChIKey
URXJQXJRZXGXTQ-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

155.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 137.7
[M+Na]+ 178.120228 142.7
[M-H]- 154.123734 139.1
[M+NH4]+ 173.164833 158.8
[M+K]+ 194.094168 142.3
[M+H-H2O]+ 138.128270 131.4
[M+HCOO]- 200.129211 157.1
[M+CH3COO]- 214.144861 177.7
[M+Na-2H]- 176.105676 139.0
[M]+ 155.13046142 135.3
[M]- 155.13155858 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