CID 12939864

3-(oxolan-2-yl)propanenitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC(OC1)CCC#N
InChI
InChI=1S/C7H11NO/c8-5-1-3-7-4-2-6-9-7/h7H,1-4,6H2
InChIKey
JBHAZBKWNJJBJZ-UHFFFAOYSA-N
Compound name
3-(oxolan-2-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

125.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 122.8
[M+Na]+ 148.073278 131.5
[M-H]- 124.076784 126.1
[M+NH4]+ 143.117883 143.1
[M+K]+ 164.047218 130.5
[M+H-H2O]+ 108.081320 111.0
[M+HCOO]- 170.082261 141.8
[M+CH3COO]- 184.097911 182.8
[M+Na-2H]- 146.058726 129.0
[M]+ 125.08351142 117.1
[M]- 125.08460858 117.1
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