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

1
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 126.0
[M+Na]+ 149.068533 133.8
[M-H]- 125.072039 128.8
[M+NH4]+ 144.113138 145.5
[M+K]+ 165.042473 133.2
[M+H-H2O]+ 109.076575 113.8
[M+HCOO]- 171.077516 144.5
[M+CH3COO]- 185.093166 184.6
[M+Na-2H]- 147.053981 130.5
[M]+ 126.07876642 117.6
[M]- 126.07986358 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

patents stripe