CID 86873

19432-88-3

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC(NC1)CCO
InChI
InChI=1S/C6H13NO/c8-5-3-6-2-1-4-7-6/h6-8H,1-5H2
InChIKey
JZXVADSBLRIAIB-UHFFFAOYSA-N
Compound name
2-pyrrolidin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1875
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.7
[M+Na]+ 138.088938 131.3
[M-H]- 114.092444 124.5
[M+NH4]+ 133.133543 147.2
[M+K]+ 154.062878 129.5
[M+H-H2O]+ 98.096980 120.1
[M+HCOO]- 160.097921 144.9
[M+CH3COO]- 174.113571 162.5
[M+Na-2H]- 136.074386 130.1
[M]+ 115.09917142 120.4
[M]- 115.10026858 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe