CID 268108

90227-42-2

Structural Information

Molecular Formula
C8H17NO2
SMILES
COCCN1CCC(C1)CO
InChI
InChI=1S/C8H17NO2/c1-11-5-4-9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3
InChIKey
ZVBJMUVVMBASLP-UHFFFAOYSA-N
Compound name
[1-(2-methoxyethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

71
Patents

159.12593 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.5
[M+Na]+ 182.11515 142.5
[M-H]- 158.11865 136.7
[M+NH4]+ 177.15975 157.2
[M+K]+ 198.08909 141.6
[M+H-H2O]+ 142.12319 130.5
[M+HCOO]- 204.12413 156.7
[M+CH3COO]- 218.13978 174.3
[M+Na-2H]- 180.10060 139.6
[M]+ 159.12538 135.7
[M]- 159.12648 135.7
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