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]+ 128.07061 124.2
[M+Na]+ 150.05255 132.5
[M-H]- 126.05605 126.4
[M+NH4]+ 145.09715 143.6
[M+K]+ 166.02649 131.9
[M+H-H2O]+ 110.06059 112.6
[M+HCOO]- 172.06153 141.4
[M+CH3COO]- 186.07718 180.2
[M+Na-2H]- 148.03800 129.1
[M]+ 127.06278 117.1
[M]- 127.06388 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