CID 20792996

4-tert-butylpyrrolidin-2-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(C)(C)C1CC(=O)NC1
InChI
InChI=1S/C8H15NO/c1-8(2,3)6-4-7(10)9-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey
OFWOAFJRYDAAGI-UHFFFAOYSA-N
Compound name
4-tert-butylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

141.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 132.6
[M+Na]+ 164.104588 139.6
[M-H]- 140.108094 133.4
[M+NH4]+ 159.149193 154.3
[M+K]+ 180.078528 138.1
[M+H-H2O]+ 124.112630 127.8
[M+HCOO]- 186.113571 151.4
[M+CH3COO]- 200.129221 171.0
[M+Na-2H]- 162.090036 136.6
[M]+ 141.11482142 129.2
[M]- 141.11591858 129.2
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