CID 2769500

1-(3-isocyanopropyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C8H12N2O
SMILES
[C-]#[N+]CCCN1CCCC1=O
InChI
InChI=1S/C8H12N2O/c1-9-5-3-7-10-6-2-4-8(10)11/h2-7H2
InChIKey
WJSKUGILKGOSGT-UHFFFAOYSA-N
Compound name
1-(3-isocyanopropyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

152.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 134.0
[M+Na]+ 175.08418 144.9
[M+NH4]+ 170.12878 138.9
[M+K]+ 191.05812 138.9
[M-H]- 151.08768 128.2
[M+Na-2H]- 173.06963 135.5
[M]+ 152.09441 132.8
[M]- 152.09551 132.8
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