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]+ 174.112476 137.0
[M+Na]+ 196.094418 143.3
[M-H]- 172.097924 139.5
[M+NH4]+ 191.139023 156.9
[M+K]+ 212.068358 143.6
[M+H-H2O]+ 156.102460 132.7
[M+HCOO]- 218.103401 155.3
[M+CH3COO]- 232.119051 179.2
[M+Na-2H]- 194.079866 141.2
[M]+ 173.10465142 133.4
[M]- 173.10574858 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.