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

19
Patents

153.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 135.4
[M+Na]+ 176.104588 142.0
[M-H]- 152.108094 137.2
[M+NH4]+ 171.149193 157.0
[M+K]+ 192.078528 140.6
[M+H-H2O]+ 136.112630 129.5
[M+HCOO]- 198.113571 156.1
[M+CH3COO]- 212.129221 176.3
[M+Na-2H]- 174.090036 137.3
[M]+ 153.11482142 133.3
[M]- 153.11591858 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