CID 81848

1-[3-(dimethylamino)propyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C9H18N2O
SMILES
CN(C)CCCN1CCCC1=O
InChI
InChI=1S/C9H18N2O/c1-10(2)6-4-8-11-7-3-5-9(11)12/h3-8H2,1-2H3
InChIKey
VBRBLUHWCNINSZ-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

511
Patents

170.1419 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 140.2
[M+Na]+ 193.13112 148.9
[M+NH4]+ 188.17572 148.0
[M+K]+ 209.10506 145.2
[M-H]- 169.13462 141.3
[M+Na-2H]- 191.11657 143.9
[M]+ 170.14135 141.4
[M]- 170.14245 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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