CID 55276371

3-methyloxetane-3-carbonitrile

Structural Information

Molecular Formula
C5H7NO
SMILES
CC1(COC1)C#N
InChI
InChI=1S/C5H7NO/c1-5(2-6)3-7-4-5/h3-4H2,1H3
InChIKey
JHLDEOHYZQLQRJ-UHFFFAOYSA-N
Compound name
3-methyloxetane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

97.052765 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 107.7
[M+Na]+ 120.041983 116.6
[M-H]- 96.045489 112.5
[M+NH4]+ 115.086588 123.8
[M+K]+ 136.015923 120.8
[M+H-H2O]+ 80.050025 93.7
[M+HCOO]- 142.050966 126.7
[M+CH3COO]- 156.066616 182.1
[M+Na-2H]- 118.027431 117.7
[M]+ 97.05221642 111.3
[M]- 97.05331358 111.3
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