CID 7020159

Ser-val

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C8H16N2O4/c1-4(2)6(8(13)14)10-7(12)5(9)3-11/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1
InChIKey
ILVGMCVCQBJPSH-WDSKDSINSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8525
Patents

204.11101 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 148.1
[M+Na]+ 227.10023 151.2
[M-H]- 203.10373 144.8
[M+NH4]+ 222.14483 164.2
[M+K]+ 243.07417 151.6
[M+H-H2O]+ 187.10827 142.3
[M+HCOO]- 249.10921 165.9
[M+CH3COO]- 263.12486 188.0
[M+Na-2H]- 225.08568 145.9
[M]+ 204.11046 144.5
[M]- 204.11156 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe