CID 87992058

Schembl6946979

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)OC(=O)C[C@@H](C(=O)OC(C)C)N
InChI
InChI=1S/C10H19NO4/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h6-8H,5,11H2,1-4H3/t8-/m0/s1
InChIKey
CDGUKEIXKGHSIS-QMMMGPOBSA-N
Compound name
dipropan-2-yl (2S)-2-aminobutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

217.13141 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.138686 152.0
[M+Na]+ 240.120628 156.3
[M-H]- 216.124134 151.5
[M+NH4]+ 235.165233 169.8
[M+K]+ 256.094568 157.8
[M+H-H2O]+ 200.128670 146.4
[M+HCOO]- 262.129611 171.4
[M+CH3COO]- 276.145261 192.8
[M+Na-2H]- 238.106076 149.9
[M]+ 217.13086142 154.0
[M]- 217.13195858 154.0
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

patents stripe