CID 54595485

2-amino-2-(oxan-4-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1COCCC1C(C#N)N
InChI
InChI=1S/C7H12N2O/c8-5-7(9)6-1-3-10-4-2-6/h6-7H,1-4,9H2
InChIKey
OOASDBUGFZMERT-UHFFFAOYSA-N
Compound name
2-amino-2-(oxan-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.3
[M+Na]+ 163.08418 135.9
[M-H]- 139.08768 131.9
[M+NH4]+ 158.12878 146.7
[M+K]+ 179.05812 135.3
[M+H-H2O]+ 123.09222 117.0
[M+HCOO]- 185.09316 145.7
[M+CH3COO]- 199.10881 187.5
[M+Na-2H]- 161.06963 134.4
[M]+ 140.09441 119.4
[M]- 140.09551 119.4
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.