CID 12612441

931-44-2

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CNCC1CCO
InChI
InChI=1S/C6H13NO/c8-4-2-6-1-3-7-5-6/h6-8H,1-5H2
InChIKey
NKRLLPCWCPIQPL-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

351
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.7
[M+Na]+ 138.08894 131.3
[M-H]- 114.09244 124.5
[M+NH4]+ 133.13354 147.2
[M+K]+ 154.06288 129.5
[M+H-H2O]+ 98.096980 120.1
[M+HCOO]- 160.09792 144.9
[M+CH3COO]- 174.11357 162.5
[M+Na-2H]- 136.07439 130.1
[M]+ 115.09917 120.4
[M]- 115.10027 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