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

11
Patents

112.06366 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 121.9
[M+Na]+ 135.052878 131.2
[M-H]- 111.056384 121.5
[M+NH4]+ 130.097483 143.1
[M+K]+ 151.026818 128.1
[M+H-H2O]+ 95.060920 110.5
[M+HCOO]- 157.061861 138.4
[M+CH3COO]- 171.077511 174.6
[M+Na-2H]- 133.038326 127.9
[M]+ 112.06311142 112.3
[M]- 112.06420858 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