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

68
Patents

127.06333 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 116.1
[M+Na]+ 150.05255 124.1
[M-H]- 126.05605 119.4
[M+NH4]+ 145.09715 130.5
[M+K]+ 166.02649 127.8
[M+H-H2O]+ 110.06059 101.8
[M+HCOO]- 172.06153 133.6
[M+CH3COO]- 186.07718 184.1
[M+Na-2H]- 148.03800 125.0
[M]+ 127.06278 119.6
[M]- 127.06388 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