CID 165620347

En300-1880623

Structural Information

Molecular Formula
C12H22BrNO3
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)CCCBr
InChI
InChI=1S/C12H22BrNO3/c1-12(2,3)17-11(15)14-7-8-16-10(9-14)5-4-6-13/h10H,4-9H2,1-3H3
InChIKey
UQMOYDJOBAPENQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-bromopropyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08558 166.7
[M+Na]+ 330.06752 174.5
[M-H]- 306.07102 171.1
[M+NH4]+ 325.11212 183.0
[M+K]+ 346.04146 165.9
[M+H-H2O]+ 290.07556 166.0
[M+HCOO]- 352.07650 180.0
[M+CH3COO]- 366.09215 199.1
[M+Na-2H]- 328.05297 171.1
[M]+ 307.07775 185.7
[M]- 307.07885 185.7
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

No patent data available for this compound.