CID 21481278

1-(propan-2-yl)pyrrolidin-3-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)N1CCC(=O)C1
InChI
InChI=1S/C7H13NO/c1-6(2)8-4-3-7(9)5-8/h6H,3-5H2,1-2H3
InChIKey
HWTOGAWRASXJNF-UHFFFAOYSA-N
Compound name
1-propan-2-ylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

127.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 127.2
[M+Na]+ 150.08894 134.3
[M-H]- 126.09244 129.3
[M+NH4]+ 145.13354 149.9
[M+K]+ 166.06288 134.0
[M+H-H2O]+ 110.09698 121.6
[M+HCOO]- 172.09792 148.3
[M+CH3COO]- 186.11357 171.9
[M+Na-2H]- 148.07439 130.2
[M]+ 127.09917 125.2
[M]- 127.10027 125.2
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