CID 368609

(cyano[?]yl) acetate

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC(=O)OC1(CC2C3C(C1O2)N3)C#N
InChI
InChI=1S/C9H10N2O3/c1-4(12)14-9(3-10)2-5-6-7(11-6)8(9)13-5/h5-8,11H,2H2,1H3
InChIKey
BKYGZUUGBIPLDQ-UHFFFAOYSA-N
Compound name
(6-cyano-8-oxa-3-azatricyclo[3.2.1.02,4]octan-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 139.1
[M+Na]+ 217.05836 156.7
[M-H]- 193.06186 143.4
[M+NH4]+ 212.10296 158.3
[M+K]+ 233.03230 148.2
[M+H-H2O]+ 177.06640 131.6
[M+HCOO]- 239.06734 154.2
[M+CH3COO]- 253.08299 152.4
[M+Na-2H]- 215.04381 145.9
[M]+ 194.06859 140.7
[M]- 194.06969 140.7
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

No patent data available for this compound.