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

87
Patents

141.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 131.6
[M+Na]+ 164.104588 139.1
[M-H]- 140.108094 133.8
[M+NH4]+ 159.149193 154.0
[M+K]+ 180.078528 138.4
[M+H-H2O]+ 124.112630 126.5
[M+HCOO]- 186.113571 151.9
[M+CH3COO]- 200.129221 173.7
[M+Na-2H]- 162.090036 136.1
[M]+ 141.11482142 130.1
[M]- 141.11591858 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