CID 22967022

(1-methylazetidin-3-yl)methanol

Structural Information

Molecular Formula
C5H11NO
SMILES
CN1CC(C1)CO
InChI
InChI=1S/C5H11NO/c1-6-2-5(3-6)4-7/h5,7H,2-4H2,1H3
InChIKey
MFYXNTFIFHINFW-UHFFFAOYSA-N
Compound name
(1-methylazetidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

101.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 118.1
[M+Na]+ 124.07328 124.6
[M-H]- 100.07678 119.1
[M+NH4]+ 119.11788 133.1
[M+K]+ 140.04722 127.1
[M+H-H2O]+ 84.081320 108.1
[M+HCOO]- 146.08226 138.0
[M+CH3COO]- 160.09791 169.0
[M+Na-2H]- 122.05873 124.3
[M]+ 101.08351 125.2
[M]- 101.08461 125.2
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