CID 5746314

Nsc 83069

Structural Information

Molecular Formula
C6H14ClN
SMILES
C[C@H]([C@@H](C)Cl)N(C)C
InChI
InChI=1S/C6H14ClN/c1-5(7)6(2)8(3)4/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKey
BAPQFPNXQHWJBX-PHDIDXHHSA-N
Compound name
(2R,3R)-3-chloro-N,N-dimethylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.08148 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.088756 129.0
[M+Na]+ 158.070698 135.9
[M-H]- 134.074204 130.8
[M+NH4]+ 153.115303 152.2
[M+K]+ 174.044638 135.7
[M+H-H2O]+ 118.078740 125.2
[M+HCOO]- 180.079681 147.8
[M+CH3COO]- 194.095331 181.3
[M+Na-2H]- 156.056146 132.6
[M]+ 135.08093142 131.3
[M]- 135.08202858 131.3
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.