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

1455
Patents

131.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 125.6
[M+Na]+ 154.08386 133.0
[M-H]- 130.08736 130.0
[M+NH4]+ 149.12846 148.3
[M+K]+ 170.05780 134.9
[M+H-H2O]+ 114.09190 121.7
[M+HCOO]- 176.09284 147.7
[M+CH3COO]- 190.10849 172.0
[M+Na-2H]- 152.06931 132.9
[M]+ 131.09409 125.2
[M]- 131.09519 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