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

15
Patents

126.079315 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 117.9
[M+Na]+ 149.068533 125.2
[M-H]- 125.072039 118.8
[M+NH4]+ 144.113138 130.4
[M+K]+ 165.042473 128.5
[M+H-H2O]+ 109.076575 101.6
[M+HCOO]- 171.077516 134.5
[M+CH3COO]- 185.093166 186.1
[M+Na-2H]- 147.053981 123.9
[M]+ 126.07876642 119.8
[M]- 126.07986358 119.8
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