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]+ 140.10700 123.9
[M+Na]+ 162.08894 132.4
[M-H]- 138.09244 124.3
[M+NH4]+ 157.13354 137.8
[M+K]+ 178.06288 133.6
[M+H-H2O]+ 122.09698 109.7
[M+HCOO]- 184.09792 138.1
[M+CH3COO]- 198.11357 184.5
[M+Na-2H]- 160.07439 129.6
[M]+ 139.09917 126.1
[M]- 139.10027 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.