CID 165664196

[1-(but-3-yn-1-yl)-3-methoxypyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC1(CCN(C1)CCC#C)CO
InChI
InChI=1S/C10H17NO2/c1-3-4-6-11-7-5-10(8-11,9-12)13-2/h1,12H,4-9H2,2H3
InChIKey
XFFGUNISRHWDKS-UHFFFAOYSA-N
Compound name
(1-but-3-ynyl-3-methoxypyrrolidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 138.4
[M+Na]+ 206.115148 147.6
[M-H]- 182.118654 137.9
[M+NH4]+ 201.159753 157.8
[M+K]+ 222.089088 143.8
[M+H-H2O]+ 166.123190 127.1
[M+HCOO]- 228.124131 153.0
[M+CH3COO]- 242.139781 186.7
[M+Na-2H]- 204.100596 141.6
[M]+ 183.12538142 132.9
[M]- 183.12647858 132.9
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.