CID 77392

3772-26-7

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)N1CCCC1=O
InChI
InChI=1S/C7H13NO/c1-6(2)8-5-3-4-7(8)9/h6H,3-5H2,1-2H3
InChIKey
GHELJWBGTIKZQW-UHFFFAOYSA-N
Compound name
1-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2741
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

literature stripe

Patent stripe

patents stripe