CID 124603411

(2s)-2-(bromomethyl)morpholine hydrochloride

Structural Information

Molecular Formula
C5H10BrNO
SMILES
C1CO[C@@H](CN1)CBr
InChI
InChI=1S/C5H10BrNO/c6-3-5-4-7-1-2-8-5/h5,7H,1-4H2/t5-/m1/s1
InChIKey
ZPSJVTJYARPZFC-RXMQYKEDSA-N
Compound name
(2S)-2-(bromomethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.99458 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.00186 131.4
[M+Na]+ 201.98380 140.2
[M-H]- 177.98730 134.8
[M+NH4]+ 197.02840 151.5
[M+K]+ 217.95774 131.3
[M+H-H2O]+ 161.99184 131.5
[M+HCOO]- 223.99278 147.2
[M+CH3COO]- 238.00843 173.5
[M+Na-2H]- 199.96925 139.9
[M]+ 178.99403 145.1
[M]- 178.99513 145.1
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.