CID 167720265

(4r)-4-{[(tert-butoxy)carbonyl]amino}-2-methylidenepentanoic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
C[C@H](CC(=C)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-7(9(13)14)6-8(2)12-10(15)16-11(3,4)5/h8H,1,6H2,2-5H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey
OXFXXEYPPBEIQO-MRVPVSSYSA-N
Compound name
(4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 153.4
[M+Na]+ 252.12063 157.8
[M-H]- 228.12413 152.1
[M+NH4]+ 247.16523 170.4
[M+K]+ 268.09457 158.0
[M+H-H2O]+ 212.12867 148.6
[M+HCOO]- 274.12961 171.2
[M+CH3COO]- 288.14526 191.7
[M+Na-2H]- 250.10608 153.7
[M]+ 229.13086 154.3
[M]- 229.13196 154.3
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.