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

117
Patents

111.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 117.6
[M+Na]+ 134.05763 125.8
[M-H]- 110.06113 120.6
[M+NH4]+ 129.10223 133.7
[M+K]+ 150.03157 127.9
[M+H-H2O]+ 94.065670 103.7
[M+HCOO]- 156.06661 135.7
[M+CH3COO]- 170.08226 182.4
[M+Na-2H]- 132.04308 125.3
[M]+ 111.06786 119.3
[M]- 111.06896 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