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]+ 140.10700 128.7
[M+Na]+ 162.08894 137.6
[M-H]- 138.09244 127.9
[M+NH4]+ 157.13354 147.8
[M+K]+ 178.06288 134.3
[M+H-H2O]+ 122.09698 116.8
[M+HCOO]- 184.09792 143.5
[M+CH3COO]- 198.11357 179.9
[M+Na-2H]- 160.07439 131.5
[M]+ 139.09917 120.8
[M]- 139.10027 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