CID 167734537

Methyl (4r)-4-{[(tert-butoxy)carbonyl]amino}-2-methylidenepentanoate

Structural Information

Molecular Formula
C12H21NO4
SMILES
C[C@H](CC(=C)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-8(10(14)16-6)7-9(2)13-11(15)17-12(3,4)5/h9H,1,7H2,2-6H3,(H,13,15)/t9-/m1/s1
InChIKey
UMXLUHHYMUXZLV-SECBINFHSA-N
Compound name
methyl (4R)-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 157.5
[M+Na]+ 266.13628 162.0
[M-H]- 242.13978 157.5
[M+NH4]+ 261.18088 174.8
[M+K]+ 282.11022 162.8
[M+H-H2O]+ 226.14432 152.4
[M+HCOO]- 288.14526 176.6
[M+CH3COO]- 302.16091 196.5
[M+Na-2H]- 264.12173 157.8
[M]+ 243.14651 160.6
[M]- 243.14761 160.6
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.