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

3
Patents

246.13683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 156.6
[M+Na]+ 269.12605 167.3
[M-H]- 245.12955 161.9
[M+NH4]+ 264.17065 173.4
[M+K]+ 285.09999 164.4
[M+H-H2O]+ 229.13409 144.1
[M+HCOO]- 291.13503 173.0
[M+CH3COO]- 305.15068 205.2
[M+Na-2H]- 267.11150 157.0
[M]+ 246.13628 153.2
[M]- 246.13738 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