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

72
Patents

141.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 132.6
[M+Na]+ 164.10459 139.6
[M-H]- 140.10809 133.4
[M+NH4]+ 159.14919 154.3
[M+K]+ 180.07853 138.1
[M+H-H2O]+ 124.11263 127.8
[M+HCOO]- 186.11357 151.4
[M+CH3COO]- 200.12922 171.0
[M+Na-2H]- 162.09004 136.6
[M]+ 141.11482 129.2
[M]- 141.11592 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