CID 126971293

2731014-55-2

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1CNCC1(C#N)O
InChI
InChI=1S/C5H8N2O/c6-3-5(8)1-2-7-4-5/h7-8H,1-2,4H2
InChIKey
AOUPPJMJIDURRA-UHFFFAOYSA-N
Compound name
3-hydroxypyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

112.06366 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 121.9
[M+Na]+ 135.05288 131.2
[M-H]- 111.05638 121.5
[M+NH4]+ 130.09748 143.1
[M+K]+ 151.02682 128.1
[M+H-H2O]+ 95.060920 110.5
[M+HCOO]- 157.06186 138.4
[M+CH3COO]- 171.07751 174.6
[M+Na-2H]- 133.03833 127.9
[M]+ 112.06311 112.3
[M]- 112.06421 112.3
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