CID 24936998

1010836-56-2

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1COCCC1(CO)C#N
InChI
InChI=1S/C7H11NO2/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-4,6H2
InChIKey
AZJLUZLWQDMMOG-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)oxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

141.07898 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 126.1
[M+Na]+ 164.06820 134.7
[M-H]- 140.07170 128.7
[M+NH4]+ 159.11280 145.5
[M+K]+ 180.04214 133.2
[M+H-H2O]+ 124.07624 115.3
[M+HCOO]- 186.07718 142.3
[M+CH3COO]- 200.09283 182.0
[M+Na-2H]- 162.05365 134.1
[M]+ 141.07843 118.6
[M]- 141.07953 118.6
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