CID 71309581

Dtxsid30745932

Structural Information

Molecular Formula
C4H11NO
SMILES
[2H]C([2H])([2H])C([2H])([2H])C(C([2H])([2H])[2H])(N([2H])[2H])O[2H]
InChI
InChI=1S/C4H11NO/c1-3-4(2,5)6/h6H,3,5H2,1-2H3/i1D3,2D3,3D2,6D/hD2
InChIKey
VKPHHYUEMRNFSX-BIGNBOPISA-N
Compound name
N,N,1,1,1,3,3,4,4,4-decadeuterio-2-deuteriooxybutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

100.15311 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.16039 148.0
[M+Na]+ 123.14233 155.4
[M+NH4]+ 118.18693 155.4
[M+K]+ 139.11627 151.2
[M-H]- 99.145834 145.7
[M+Na-2H]- 121.12778 150.8
[M]+ 100.15256 148.5
[M]- 100.15366 148.5
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.