CID 18616423

[1-(prop-2-yn-1-yl)pyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C8H13NO
SMILES
C#CCN1CCCC1CO
InChI
InChI=1S/C8H13NO/c1-2-5-9-6-3-4-8(9)7-10/h1,8,10H,3-7H2
InChIKey
MFSYXXIWVDCEDQ-UHFFFAOYSA-N
Compound name
(1-prop-2-ynylpyrrolidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

139.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.7
[M+Na]+ 162.088938 137.6
[M-H]- 138.092444 127.9
[M+NH4]+ 157.133543 147.8
[M+K]+ 178.062878 134.3
[M+H-H2O]+ 122.096980 116.8
[M+HCOO]- 184.097921 143.5
[M+CH3COO]- 198.113571 179.9
[M+Na-2H]- 160.074386 131.5
[M]+ 139.09917142 120.8
[M]- 139.10026858 120.8
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

patents stripe