CID 22063291

50289-12-8

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1COCCC1(C#N)N
InChI
InChI=1S/C6H10N2O/c7-5-6(8)1-3-9-4-2-6/h1-4,8H2
InChIKey
RNLRIDPDRLEOSF-UHFFFAOYSA-N
Compound name
4-aminooxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

126.079315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 124.0
[M+Na]+ 149.068533 132.4
[M-H]- 125.072039 127.3
[M+NH4]+ 144.113138 143.9
[M+K]+ 165.042473 131.2
[M+H-H2O]+ 109.076575 112.8
[M+HCOO]- 171.077516 141.8
[M+CH3COO]- 185.093166 183.6
[M+Na-2H]- 147.053981 131.9
[M]+ 126.07876642 114.8
[M]- 126.07986358 114.8
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