CID 22408685

3-hydroxycyclobutanecarbonitrile

Structural Information

Molecular Formula
C5H7NO
SMILES
C1C(CC1O)C#N
InChI
InChI=1S/C5H7NO/c6-3-4-1-5(7)2-4/h4-5,7H,1-2H2
InChIKey
MMJQJSQOTGZCHX-UHFFFAOYSA-N
Compound name
3-hydroxycyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

97.052765 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 111.2
[M+Na]+ 120.041983 119.4
[M-H]- 96.045489 114.1
[M+NH4]+ 115.086588 126.2
[M+K]+ 136.015923 122.5
[M+H-H2O]+ 80.050025 96.5
[M+HCOO]- 142.050966 129.4
[M+CH3COO]- 156.066616 181.1
[M+Na-2H]- 118.027431 117.9
[M]+ 97.05221642 112.6
[M]- 97.05331358 112.6
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