CID 2733884

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

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC1(OC[C@@H](O1)CN)C
InChI
InChI=1S/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKey
HXOYWCSTHVTLOW-YFKPBYRVSA-N
Compound name
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1413
Patents

131.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 125.6
[M+Na]+ 154.083858 133.0
[M-H]- 130.087364 130.0
[M+NH4]+ 149.128463 148.3
[M+K]+ 170.057798 134.9
[M+H-H2O]+ 114.091900 121.7
[M+HCOO]- 176.092841 147.7
[M+CH3COO]- 190.108491 172.0
[M+Na-2H]- 152.069306 132.9
[M]+ 131.09409142 125.2
[M]- 131.09518858 125.2
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