CID 125514799

(2s)-2-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]morpholine

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC1(OC[C@H](O1)[C@@H]2CNCCO2)C
InChI
InChI=1S/C9H17NO3/c1-9(2)12-6-8(13-9)7-5-10-3-4-11-7/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey
OWGKBHAVTSVSEV-YUMQZZPRSA-N
Compound name
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 141.2
[M+Na]+ 210.110068 146.3
[M-H]- 186.113574 146.2
[M+NH4]+ 205.154673 158.2
[M+K]+ 226.084008 148.3
[M+H-H2O]+ 170.118110 135.7
[M+HCOO]- 232.119051 155.7
[M+CH3COO]- 246.134701 176.2
[M+Na-2H]- 208.095516 146.7
[M]+ 187.12030142 137.7
[M]- 187.12139858 137.7
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.