CID 145913190

Rac-(2r,4s)-4-amino-6,6-dimethyloxane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC1(C[C@H](C[C@@H](O1)C(=O)O)N)C
InChI
InChI=1S/C8H15NO3/c1-8(2)4-5(9)3-6(12-8)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t5-,6+/m0/s1
InChIKey
JXNDAKJAHWILAJ-NTSWFWBYSA-N
Compound name
(2R,4S)-4-amino-6,6-dimethyloxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.0
[M+Na]+ 196.09442 143.3
[M-H]- 172.09792 139.5
[M+NH4]+ 191.13902 156.9
[M+K]+ 212.06836 143.6
[M+H-H2O]+ 156.10246 132.7
[M+HCOO]- 218.10340 155.3
[M+CH3COO]- 232.11905 179.2
[M+Na-2H]- 194.07987 141.2
[M]+ 173.10465 133.4
[M]- 173.10575 133.4
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.