CID 11007909

2-(3-(hydroxymethyl)oxetan-3-yl)acetonitrile

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1C(CO1)(CC#N)CO
InChI
InChI=1S/C6H9NO2/c7-2-1-6(3-8)4-9-5-6/h8H,1,3-5H2
InChIKey
FQVIUCMKUIUWKC-UHFFFAOYSA-N
Compound name
2-[3-(hydroxymethyl)oxetan-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

127.06333 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 116.1
[M+Na]+ 150.052548 124.1
[M-H]- 126.056054 119.4
[M+NH4]+ 145.097153 130.5
[M+K]+ 166.026488 127.8
[M+H-H2O]+ 110.060590 101.8
[M+HCOO]- 172.061531 133.6
[M+CH3COO]- 186.077181 184.1
[M+Na-2H]- 148.037996 125.0
[M]+ 127.06278142 119.6
[M]- 127.06387858 119.6
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