CID 155977833

(2s,3s)-2-(4-carboxybutanamido)-3-methylpentanoic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCCC(=O)O
InChI
InChI=1S/C11H19NO5/c1-3-7(2)10(11(16)17)12-8(13)5-4-6-9(14)15/h7,10H,3-6H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t7-,10-/m0/s1
InChIKey
ZMVWEBNXBDEXAY-XVKPBYJWSA-N
Compound name
(2S,3S)-2-(4-carboxybutanoylamino)-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 158.0
[M+Na]+ 268.115548 161.0
[M-H]- 244.119054 154.8
[M+NH4]+ 263.160153 173.0
[M+K]+ 284.089488 160.9
[M+H-H2O]+ 228.123590 152.3
[M+HCOO]- 290.124531 174.9
[M+CH3COO]- 304.140181 193.5
[M+Na-2H]- 266.100996 155.4
[M]+ 245.12578142 158.3
[M]- 245.12687858 158.3
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.