CID 65952681

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

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1(CN(C1)CCC#C)O
InChI
InChI=1S/C8H13NO/c1-3-4-5-9-6-8(2,10)7-9/h1,10H,4-7H2,2H3
InChIKey
ACJVWAVDIWFONE-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3-methylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 123.9
[M+Na]+ 162.088938 132.4
[M-H]- 138.092444 124.3
[M+NH4]+ 157.133543 137.8
[M+K]+ 178.062878 133.6
[M+H-H2O]+ 122.096980 109.7
[M+HCOO]- 184.097921 138.1
[M+CH3COO]- 198.113571 184.5
[M+Na-2H]- 160.074386 129.6
[M]+ 139.09917142 126.1
[M]- 139.10026858 126.1
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.