CID 24275513

1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC1N2CC(CC2=O)CO
InChI
InChI=1S/C8H13NO2/c10-5-6-3-8(11)9(4-6)7-1-2-7/h6-7,10H,1-5H2
InChIKey
KIINMCIJESQIGC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.09464 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 134.2
[M+Na]+ 178.08386 143.5
[M-H]- 154.08736 139.1
[M+NH4]+ 173.12846 150.2
[M+K]+ 194.05780 140.2
[M+H-H2O]+ 138.09190 128.0
[M+HCOO]- 200.09284 154.8
[M+CH3COO]- 214.10849 176.7
[M+Na-2H]- 176.06931 137.1
[M]+ 155.09409 134.3
[M]- 155.09519 134.3
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