CID 93032

1,5-dimethyl 2-aminopentanedioate hydrochloride

Structural Information

Molecular Formula
C7H13NO4
SMILES
COC(=O)CC[C@@H](C(=O)OC)N
InChI
InChI=1S/C7H13NO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4,8H2,1-2H3/t5-/m0/s1
InChIKey
YEJSPQZHMWGIGP-YFKPBYRVSA-N
Compound name
dimethyl (2S)-2-aminopentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

3137
Patents

175.08446 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 138.0
[M+Na]+ 198.07368 143.8
[M-H]- 174.07718 137.7
[M+NH4]+ 193.11828 157.5
[M+K]+ 214.04762 145.1
[M+H-H2O]+ 158.08172 132.6
[M+HCOO]- 220.08266 160.2
[M+CH3COO]- 234.09831 181.8
[M+Na-2H]- 196.05913 139.9
[M]+ 175.08391 140.0
[M]- 175.08501 140.0
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.