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]+ 127.086591 125.7
[M+Na]+ 149.068533 134.7
[M-H]- 125.072039 125.2
[M+NH4]+ 144.113138 146.4
[M+K]+ 165.042473 131.4
[M+H-H2O]+ 109.076575 114.2
[M+HCOO]- 171.077516 141.9
[M+CH3COO]- 185.093166 177.4
[M+Na-2H]- 147.053981 131.3
[M]+ 126.07876642 116.4
[M]- 126.07986358 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.