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

218
Patents

126.079315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 124.0
[M+Na]+ 149.06853 132.4
[M-H]- 125.07204 127.3
[M+NH4]+ 144.11314 143.9
[M+K]+ 165.04247 131.2
[M+H-H2O]+ 109.07658 112.8
[M+HCOO]- 171.07752 141.8
[M+CH3COO]- 185.09317 183.6
[M+Na-2H]- 147.05398 131.9
[M]+ 126.07877 114.8
[M]- 126.07986 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