CID 21940670

1-(3-methylbut-2-en-1-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C9H15NO
SMILES
CC(=CCN1CCCC1=O)C
InChI
InChI=1S/C9H15NO/c1-8(2)5-7-10-6-3-4-9(10)11/h5H,3-4,6-7H2,1-2H3
InChIKey
AYAKRJQMSHNYGJ-UHFFFAOYSA-N
Compound name
1-(3-methylbut-2-enyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

153.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 135.4
[M+Na]+ 176.10459 142.0
[M-H]- 152.10809 137.2
[M+NH4]+ 171.14919 157.0
[M+K]+ 192.07853 140.6
[M+H-H2O]+ 136.11263 129.5
[M+HCOO]- 198.11357 156.1
[M+CH3COO]- 212.12922 176.3
[M+Na-2H]- 174.09004 137.3
[M]+ 153.11482 133.3
[M]- 153.11592 133.3
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