CID 43314760

1-tert-butylpyrrolidin-3-one hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(C)(C)N1CCC(=O)C1
InChI
InChI=1S/C8H15NO/c1-8(2,3)9-5-4-7(10)6-9/h4-6H2,1-3H3
InChIKey
SNKKECKMICVNPV-UHFFFAOYSA-N
Compound name
1-tert-butylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

141.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.6
[M+Na]+ 164.10459 139.1
[M-H]- 140.10809 133.8
[M+NH4]+ 159.14919 154.0
[M+K]+ 180.07853 138.4
[M+H-H2O]+ 124.11263 126.5
[M+HCOO]- 186.11357 151.9
[M+CH3COO]- 200.12922 173.7
[M+Na-2H]- 162.09004 136.1
[M]+ 141.11482 130.1
[M]- 141.11592 130.1
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