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 125.7
[M+Na]+ 149.06853 134.7
[M-H]- 125.07204 125.2
[M+NH4]+ 144.11314 146.4
[M+K]+ 165.04247 131.4
[M+H-H2O]+ 109.07658 114.2
[M+HCOO]- 171.07752 141.9
[M+CH3COO]- 185.09317 177.4
[M+Na-2H]- 147.05398 131.3
[M]+ 126.07877 116.4
[M]- 126.07986 116.4
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.