CID 138040762

1-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1C2(CC1(OC2)CN)C#N
InChI
InChI=1S/C7H10N2O/c8-3-6-1-7(2-6,4-9)10-5-6/h1-2,4-5,9H2
InChIKey
ZTUDNPLPRFPOQQ-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.07932 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 131.2
[M+Na]+ 161.06854 141.2
[M-H]- 137.07204 133.3
[M+NH4]+ 156.11314 153.2
[M+K]+ 177.04248 139.3
[M+H-H2O]+ 121.07658 119.1
[M+HCOO]- 183.07752 147.1
[M+CH3COO]- 197.09317 143.6
[M+Na-2H]- 159.05399 141.1
[M]+ 138.07877 137.6
[M]- 138.07987 137.6
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.