CID 13572523

(2e)-5-{[(tert-butoxy)carbonyl]amino}pent-2-enoic acid

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)NCC/C=C/C(=O)O
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4,6H,5,7H2,1-3H3,(H,11,14)(H,12,13)/b6-4+
InChIKey
JJIBIKDPCXOAHU-GQCTYLIASA-N
Compound name
(E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.11575 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 149.8
[M+Na]+ 238.104968 155.1
[M-H]- 214.108474 148.5
[M+NH4]+ 233.149573 167.6
[M+K]+ 254.078908 154.4
[M+H-H2O]+ 198.113010 144.9
[M+HCOO]- 260.113951 169.9
[M+CH3COO]- 274.129601 186.1
[M+Na-2H]- 236.090416 152.9
[M]+ 215.11520142 151.5
[M]- 215.11629858 151.5
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