CID 43436605

2-hydroxy-2-(oxolan-3-yl)acetonitrile

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1COCC1C(C#N)O
InChI
InChI=1S/C6H9NO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-2,4H2
InChIKey
VCRKYUBLJVLAQI-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(oxolan-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 124.2
[M+Na]+ 150.052548 132.5
[M-H]- 126.056054 126.4
[M+NH4]+ 145.097153 143.6
[M+K]+ 166.026488 131.9
[M+H-H2O]+ 110.060590 112.6
[M+HCOO]- 172.061531 141.4
[M+CH3COO]- 186.077181 180.2
[M+Na-2H]- 148.037996 129.1
[M]+ 127.06278142 117.1
[M]- 127.06387858 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

No literature data available for this compound.

Patent stripe

patents stripe