CID 66059642

[3-(2-methoxyethyl)pyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C8H17NO2
SMILES
COCCC1(CCNC1)CO
InChI
InChI=1S/C8H17NO2/c1-11-5-3-8(7-10)2-4-9-6-8/h9-10H,2-7H2,1H3
InChIKey
KBUKTZHAESULHH-UHFFFAOYSA-N
Compound name
[3-(2-methoxyethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.9
[M+Na]+ 182.11515 142.5
[M-H]- 158.11865 135.7
[M+NH4]+ 177.15975 158.5
[M+K]+ 198.08909 140.8
[M+H-H2O]+ 142.12319 131.7
[M+HCOO]- 204.12413 155.7
[M+CH3COO]- 218.13978 170.1
[M+Na-2H]- 180.10060 141.4
[M]+ 159.12538 134.1
[M]- 159.12648 134.1
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.