CID 89808883

1458653-12-7

Structural Information

Molecular Formula
C5H11NO
SMILES
CC1(CNC1)CO
InChI
InChI=1S/C5H11NO/c1-5(4-7)2-6-3-5/h6-7H,2-4H2,1H3
InChIKey
SOYCFNZZDDLHII-UHFFFAOYSA-N
Compound name
(3-methylazetidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 120.0
[M+Na]+ 124.07328 125.7
[M+NH4]+ 119.11788 125.5
[M+K]+ 140.04722 121.2
[M-H]- 100.07678 117.1
[M+Na-2H]- 122.05873 123.5
[M]+ 101.08351 118.7
[M]- 101.08461 118.7
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