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

225
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]+ 120.04198 119.4
[M-H]- 96.045489 114.1
[M+NH4]+ 115.08659 126.2
[M+K]+ 136.01592 122.5
[M+H-H2O]+ 80.050025 96.5
[M+HCOO]- 142.05097 129.4
[M+CH3COO]- 156.06662 181.1
[M+Na-2H]- 118.02743 117.9
[M]+ 97.052216 112.6
[M]- 97.053314 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