CID 18442689

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

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)C1CCNC1=O
InChI
InChI=1S/C7H13NO/c1-5(2)6-3-4-8-7(6)9/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKey
NGIZWTLYXYMEFV-UHFFFAOYSA-N
Compound name
3-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

127.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 128.2
[M+Na]+ 150.088938 134.9
[M-H]- 126.092444 128.9
[M+NH4]+ 145.133543 150.2
[M+K]+ 166.062878 133.6
[M+H-H2O]+ 110.096980 122.8
[M+HCOO]- 172.097921 147.8
[M+CH3COO]- 186.113571 169.2
[M+Na-2H]- 148.074386 130.7
[M]+ 127.09917142 124.3
[M]- 127.10026858 124.3
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