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]+ 244.154336 157.5
[M+Na]+ 266.136278 162.0
[M-H]- 242.139784 157.5
[M+NH4]+ 261.180883 174.8
[M+K]+ 282.110218 162.8
[M+H-H2O]+ 226.144320 152.4
[M+HCOO]- 288.145261 176.6
[M+CH3COO]- 302.160911 196.5
[M+Na-2H]- 264.121726 157.8
[M]+ 243.14651142 160.6
[M]- 243.14760858 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.