CID 134816626

2-[(3s)-3-(6-methylheptanoylamino)-2-oxo-pyrrolidin-1-yl]acetic acid

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC(C)CCCCC(=O)N[C@H]1CCN(C1=O)CC(=O)O
InChI
InChI=1S/C14H24N2O4/c1-10(2)5-3-4-6-12(17)15-11-7-8-16(14(11)20)9-13(18)19/h10-11H,3-9H2,1-2H3,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKey
RDFRMSJCCIYHSQ-NSHDSACASA-N
Compound name
2-[(3S)-3-(6-methylheptanoylamino)-2-oxopyrrolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 169.2
[M+Na]+ 307.16282 172.7
[M-H]- 283.16632 169.1
[M+NH4]+ 302.20742 184.2
[M+K]+ 323.13676 171.0
[M+H-H2O]+ 267.17086 162.3
[M+HCOO]- 329.17180 186.6
[M+CH3COO]- 343.18745 202.2
[M+Na-2H]- 305.14827 165.7
[M]+ 284.17305 169.0
[M]- 284.17415 169.0
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.