CID 155937591

2-{[(tert-butoxy)carbonyl]amino}non-8-ynoicacid

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NC(CCCCCC#C)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h1,11H,6-10H2,2-4H3,(H,15,18)(H,16,17)
InChIKey
WMUFGABKAMHFIU-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 167.1
[M+Na]+ 292.15194 172.5
[M-H]- 268.15544 164.7
[M+NH4]+ 287.19654 180.7
[M+K]+ 308.12588 171.4
[M+H-H2O]+ 252.15998 155.6
[M+HCOO]- 314.16092 179.6
[M+CH3COO]- 328.17657 205.2
[M+Na-2H]- 290.13739 166.3
[M]+ 269.16217 164.0
[M]- 269.16327 164.0
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.