CID 638723

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

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CC=C)C(=O)O
InChI
InChI=1S/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey
BUPDPLXLAKNJMI-SSDOTTSWSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

628
Patents

215.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 149.3
[M+Na]+ 238.104968 154.3
[M-H]- 214.108474 148.0
[M+NH4]+ 233.149573 166.9
[M+K]+ 254.078908 154.2
[M+H-H2O]+ 198.113010 144.5
[M+HCOO]- 260.113951 168.4
[M+CH3COO]- 274.129601 187.7
[M+Na-2H]- 236.090416 151.2
[M]+ 215.11520142 150.4
[M]- 215.11629858 150.4
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

patents stripe