CID 17860915

1-acetylpyrrolidine-2-carbonitrile

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC(=O)N1CCCC1C#N
InChI
InChI=1S/C7H10N2O/c1-6(10)9-4-2-3-7(9)5-8/h7H,2-4H2,1H3
InChIKey
ZHUTVLURGLOKMO-UHFFFAOYSA-N
Compound name
1-acetylpyrrolidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

138.07932 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.7
[M+Na]+ 161.06854 136.8
[M-H]- 137.07204 129.5
[M+NH4]+ 156.11314 147.6
[M+K]+ 177.04248 135.2
[M+H-H2O]+ 121.07658 115.1
[M+HCOO]- 183.07752 145.5
[M+CH3COO]- 197.09317 185.6
[M+Na-2H]- 159.05399 130.9
[M]+ 138.07877 120.8
[M]- 138.07987 120.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe