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

177
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 119.5
[M+Na]+ 120.04198 125.9
[M+NH4]+ 115.08659 121.3
[M+K]+ 136.01592 119.9
[M-H]- 96.045489 111.2
[M+Na-2H]- 118.02743 120.1
[M]+ 97.052216 116.1
[M]- 97.053314 116.1
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