CID 13390176

2-(oxan-2-yl)acetonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CCOC(C1)CC#N
InChI
InChI=1S/C7H11NO/c8-5-4-7-3-1-2-6-9-7/h7H,1-4,6H2
InChIKey
LEIYRDQWDXPNJY-UHFFFAOYSA-N
Compound name
2-(oxan-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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 121.8
[M+Na]+ 148.073278 129.6
[M-H]- 124.076784 125.1
[M+NH4]+ 143.117883 140.5
[M+K]+ 164.047218 128.8
[M+H-H2O]+ 108.081320 110.1
[M+HCOO]- 170.082261 139.0
[M+CH3COO]- 184.097911 183.0
[M+Na-2H]- 146.058726 129.2
[M]+ 125.08351142 114.3
[M]- 125.08460858 114.3
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