CID 18984

1-butylpyrrolidin-2-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CCCCN1CCCC1=O
InChI
InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3
InChIKey
BNXZHVUCNYMNOS-UHFFFAOYSA-N
Compound name
1-butylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9164
Patents

141.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.5
[M+Na]+ 164.10459 138.4
[M-H]- 140.10809 133.2
[M+NH4]+ 159.14919 153.6
[M+K]+ 180.07853 137.4
[M+H-H2O]+ 124.11263 125.6
[M+HCOO]- 186.11357 153.3
[M+CH3COO]- 200.12922 174.1
[M+Na-2H]- 162.09004 135.2
[M]+ 141.11482 130.5
[M]- 141.11592 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe