CID 21187433

183500-60-9

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC#CCC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H17NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h8H,7H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
WMEYSZDBMIOXDV-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

227.11575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 155.5
[M+Na]+ 250.10497 162.2
[M-H]- 226.10847 153.7
[M+NH4]+ 245.14957 170.8
[M+K]+ 266.07891 161.7
[M+H-H2O]+ 210.11301 144.6
[M+HCOO]- 272.11395 169.0
[M+CH3COO]- 286.12960 196.6
[M+Na-2H]- 248.09042 156.1
[M]+ 227.11520 151.4
[M]- 227.11630 151.4
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