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

23
Patents

152.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 136.4
[M+Na]+ 175.084178 144.8
[M-H]- 151.087684 136.6
[M+NH4]+ 170.128783 154.8
[M+K]+ 191.058118 137.6
[M+H-H2O]+ 135.092220 128.0
[M+HCOO]- 197.093161 153.8
[M+CH3COO]- 211.108811 179.5
[M+Na-2H]- 173.069626 141.0
[M]+ 152.09441142 126.9
[M]- 152.09550858 126.9
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