CID 138039602

[3-(chloromethyl)-1-methylazetidin-3-yl]methanol

Structural Information

Molecular Formula
C6H12ClNO
SMILES
CN1CC(C1)(CO)CCl
InChI
InChI=1S/C6H12ClNO/c1-8-3-6(2-7,4-8)5-9/h9H,2-5H2,1H3
InChIKey
IENDKCSRNHGNPX-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)-1-methylazetidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

149.06075 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.068026 125.6
[M+Na]+ 172.049968 133.5
[M-H]- 148.053474 126.6
[M+NH4]+ 167.094573 141.6
[M+K]+ 188.023908 133.6
[M+H-H2O]+ 132.058010 117.6
[M+HCOO]- 194.058951 140.9
[M+CH3COO]- 208.074601 175.3
[M+Na-2H]- 170.035416 132.2
[M]+ 149.06020142 135.0
[M]- 149.06129858 135.0
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