CID 23240136

2-{[(tert-butoxy)carbonyl]amino}-6-cyanohexanoic acid

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)O
InChI
InChI=1S/C12H20N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)7-5-4-6-8-13/h9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
CMQMDJLHJZYEPN-UHFFFAOYSA-N
Compound name
6-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 159.4
[M+Na]+ 279.13152 164.6
[M+NH4]+ 274.17612 160.0
[M+K]+ 295.10546 159.6
[M-H]- 255.13502 148.7
[M+Na-2H]- 277.11697 156.8
[M]+ 256.14175 155.7
[M]- 256.14285 155.7
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.