CID 165983201

{[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}(ethyl)amine hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCNC[C@H]1COC(O1)(C)C
InChI
InChI=1S/C8H17NO2/c1-4-9-5-7-6-10-8(2,3)11-7/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
FRNFVHCYLIEWMT-ZETCQYMHSA-N
Compound name
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 134.3
[M+Na]+ 182.115148 140.9
[M-H]- 158.118654 139.0
[M+NH4]+ 177.159753 156.2
[M+K]+ 198.089088 142.7
[M+H-H2O]+ 142.123190 130.1
[M+HCOO]- 204.124131 156.5
[M+CH3COO]- 218.139781 178.7
[M+Na-2H]- 180.100596 141.7
[M]+ 159.12538142 135.7
[M]- 159.12647858 135.7
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.