CID 65985068

2-[3-(hydroxymethyl)azetidin-1-yl]acetonitrile

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1C(CN1CC#N)CO
InChI
InChI=1S/C6H10N2O/c7-1-2-8-3-6(4-8)5-9/h6,9H,2-5H2
InChIKey
ZCDPODXCCCCLOT-UHFFFAOYSA-N
Compound name
2-[3-(hydroxymethyl)azetidin-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

126.079315 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 127.7
[M+Na]+ 149.06853 133.8
[M+NH4]+ 144.11314 128.7
[M+K]+ 165.04247 127.6
[M-H]- 125.07204 118.6
[M+Na-2H]- 147.05398 127.6
[M]+ 126.07877 123.9
[M]- 126.07986 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe