CID 56760835

1-(hydroxymethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC(C1)(CO)C#N
InChI
InChI=1S/C6H9NO/c7-4-6(5-8)2-1-3-6/h8H,1-3,5H2
InChIKey
NCEHIMDMICMIQF-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

111.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 117.6
[M+Na]+ 134.057628 125.8
[M-H]- 110.061134 120.6
[M+NH4]+ 129.102233 133.7
[M+K]+ 150.031568 127.9
[M+H-H2O]+ 94.065670 103.7
[M+HCOO]- 156.066611 135.7
[M+CH3COO]- 170.082261 182.4
[M+Na-2H]- 132.043076 125.3
[M]+ 111.06786142 119.3
[M]- 111.06895858 119.3
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