CID 12398111

126147-80-6

Structural Information

Molecular Formula
C7H17NO2
SMILES
CCOC([C@H](C)N)OCC
InChI
InChI=1S/C7H17NO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5,8H2,1-3H3/t6-/m0/s1
InChIKey
MLTOHCRTGWUMIR-LURJTMIESA-N
Compound name
(2S)-1,1-diethoxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

147.12593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.133206 135.2
[M+Na]+ 170.115148 140.6
[M-H]- 146.118654 134.8
[M+NH4]+ 165.159753 156.0
[M+K]+ 186.089088 141.6
[M+H-H2O]+ 130.123190 130.0
[M+HCOO]- 192.124131 157.5
[M+CH3COO]- 206.139781 180.0
[M+Na-2H]- 168.100596 138.2
[M]+ 147.12538142 136.6
[M]- 147.12647858 136.6
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