CID 20976007

89895-18-1

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)C1CC(=O)NC1
InChI
InChI=1S/C7H13NO/c1-5(2)6-3-7(9)8-4-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKey
YWJNZEJGGLBELP-UHFFFAOYSA-N
Compound name
4-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

127.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 128.2
[M+Na]+ 150.08894 134.9
[M-H]- 126.09244 128.9
[M+NH4]+ 145.13354 150.2
[M+K]+ 166.06288 133.6
[M+H-H2O]+ 110.09698 122.8
[M+HCOO]- 172.09792 147.8
[M+CH3COO]- 186.11357 169.2
[M+Na-2H]- 148.07439 130.7
[M]+ 127.09917 124.3
[M]- 127.10027 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