CID 145915781

1-(but-3-yn-1-yl)-3-propylpyrrolidin-3-ol

Structural Information

Molecular Formula
C11H19NO
SMILES
CCCC1(CCN(C1)CCC#C)O
InChI
InChI=1S/C11H19NO/c1-3-5-8-12-9-7-11(13,10-12)6-4-2/h1,13H,4-10H2,2H3
InChIKey
GYMHGXDYEDTTQN-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3-propylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 140.1
[M+Na]+ 204.135888 149.0
[M-H]- 180.139394 139.4
[M+NH4]+ 199.180493 159.6
[M+K]+ 220.109828 144.5
[M+H-H2O]+ 164.143930 128.7
[M+HCOO]- 226.144871 154.2
[M+CH3COO]- 240.160521 187.6
[M+Na-2H]- 202.121336 142.7
[M]+ 181.14612142 133.6
[M]- 181.14721858 133.6
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.