CID 16795727

2-amino-2-(oxolan-3-yl)acetonitrile

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1COCC1C(C#N)N
InChI
InChI=1S/C6H10N2O/c7-3-6(8)5-1-2-9-4-5/h5-6H,1-2,4,8H2
InChIKey
QMPXLKUDDODKEW-UHFFFAOYSA-N
Compound name
2-amino-2-(oxolan-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 126.0
[M+Na]+ 149.06853 133.8
[M-H]- 125.07204 128.8
[M+NH4]+ 144.11314 145.5
[M+K]+ 165.04247 133.2
[M+H-H2O]+ 109.07658 113.8
[M+HCOO]- 171.07752 144.5
[M+CH3COO]- 185.09317 184.6
[M+Na-2H]- 147.05398 130.5
[M]+ 126.07877 117.6
[M]- 126.07986 117.6
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

No patent data available for this compound.