CID 79116855

2-(3-hydroxypyrrolidin-3-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1CNCC1(CC#N)O
InChI
InChI=1S/C6H10N2O/c7-3-1-6(9)2-4-8-5-6/h8-9H,1-2,4-5H2
InChIKey
MYOSZROWDDDPJT-UHFFFAOYSA-N
Compound name
2-(3-hydroxypyrrolidin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.079315 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 126.5
[M+Na]+ 149.06853 135.1
[M+NH4]+ 144.11314 132.0
[M+K]+ 165.04247 127.3
[M-H]- 125.07204 118.8
[M+Na-2H]- 147.05398 129.2
[M]+ 126.07877 124.5
[M]- 126.07986 124.5
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.