CID 174855

4-tert-butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC1CCN(C1=O)C2=C(C(=CO2)C(C)(C)C)C#N
InChI
InChI=1S/C14H18N2O2/c1-9-5-6-16(12(9)17)13-10(7-15)11(8-18-13)14(2,3)4/h8-9H,5-6H2,1-4H3
InChIKey
CQGJMYZCKWMOKY-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-(3-methyl-2-oxopyrrolidin-1-yl)furan-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

246.13683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 156.6
[M+Na]+ 269.126048 167.3
[M-H]- 245.129554 161.9
[M+NH4]+ 264.170653 173.4
[M+K]+ 285.099988 164.4
[M+H-H2O]+ 229.134090 144.1
[M+HCOO]- 291.135031 173.0
[M+CH3COO]- 305.150681 205.2
[M+Na-2H]- 267.111496 157.0
[M]+ 246.13628142 153.2
[M]- 246.13737858 153.2
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