CID 48192

3,3-dimethylbutyric acid (2-morpholinoethyl) ester hydrochloride

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)(C)CC(=O)OCCN1CCOCC1
InChI
InChI=1S/C12H23NO3/c1-12(2,3)10-11(14)16-9-6-13-4-7-15-8-5-13/h4-10H2,1-3H3
InChIKey
NJSSRXJRYDPOKU-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

229.1678 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 155.9
[M+Na]+ 252.15702 159.5
[M-H]- 228.16052 157.4
[M+NH4]+ 247.20162 171.1
[M+K]+ 268.13096 160.3
[M+H-H2O]+ 212.16506 149.1
[M+HCOO]- 274.16600 171.2
[M+CH3COO]- 288.18165 189.2
[M+Na-2H]- 250.14247 160.1
[M]+ 229.16725 156.1
[M]- 229.16835 156.1
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

patents stripe