CID 79123325

3-(hydroxymethyl)oxolane-3-carbonitrile

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1COCC1(CO)C#N
InChI
InChI=1S/C6H9NO2/c7-3-6(4-8)1-2-9-5-6/h8H,1-2,4-5H2
InChIKey
HGOJBWWYIBUZOK-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)oxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

127.06333 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 122.3
[M+Na]+ 150.05255 132.1
[M-H]- 126.05605 125.0
[M+NH4]+ 145.09715 143.8
[M+K]+ 166.02649 130.5
[M+H-H2O]+ 110.06059 111.7
[M+HCOO]- 172.06153 140.6
[M+CH3COO]- 186.07718 179.1
[M+Na-2H]- 148.03800 129.7
[M]+ 127.06278 116.3
[M]- 127.06388 116.3
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