CID 76288

N-(2-hydroxyethyl)pyrrolidine

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CCN(C1)CCO
InChI
InChI=1S/C6H13NO/c8-6-5-7-3-1-2-4-7/h8H,1-6H2
InChIKey
XBRDBODLCHKXHI-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

20958
Patents

115.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.0
[M+Na]+ 138.08894 131.0
[M-H]- 114.09244 125.2
[M+NH4]+ 133.13354 147.1
[M+K]+ 154.06288 130.2
[M+H-H2O]+ 98.096980 119.2
[M+HCOO]- 160.09792 145.7
[M+CH3COO]- 174.11357 165.1
[M+Na-2H]- 136.07439 129.8
[M]+ 115.09917 121.6
[M]- 115.10027 121.6
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