CID 121552271

3-[(benzyloxy)methyl]oxetane-3-carbonitrile

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1C(CO1)(COCC2=CC=CC=C2)C#N
InChI
InChI=1S/C12H13NO2/c13-7-12(9-15-10-12)8-14-6-11-4-2-1-3-5-11/h1-5H,6,8-10H2
InChIKey
CHVSCDOGMOMFEO-UHFFFAOYSA-N
Compound name
3-(phenylmethoxymethyl)oxetane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 135.5
[M+Na]+ 226.08386 143.6
[M-H]- 202.08736 141.6
[M+NH4]+ 221.12846 147.4
[M+K]+ 242.05780 145.1
[M+H-H2O]+ 186.09190 119.0
[M+HCOO]- 248.09284 153.9
[M+CH3COO]- 262.10849 198.1
[M+Na-2H]- 224.06931 143.9
[M]+ 203.09409 140.2
[M]- 203.09519 140.2
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.