CID 46839516

Tert-butyl morpholine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)C1COCCN1
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)7-6-12-5-4-10-7/h7,10H,4-6H2,1-3H3
InChIKey
QTJBNPAWSNUZIC-UHFFFAOYSA-N
Compound name
tert-butyl morpholine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.8
[M+Na]+ 210.11007 147.3
[M-H]- 186.11357 143.4
[M+NH4]+ 205.15467 159.0
[M+K]+ 226.08401 147.8
[M+H-H2O]+ 170.11811 136.9
[M+HCOO]- 232.11905 157.6
[M+CH3COO]- 246.13470 177.5
[M+Na-2H]- 208.09552 148.0
[M]+ 187.12030 140.0
[M]- 187.12140 140.0
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