CID 139022413

2248382-55-8

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)NC1=C(C=C2CCCCC2=C1)C(=O)O
InChI
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13-9-11-7-5-4-6-10(11)8-12(13)14(18)19/h8-9H,4-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
CWIOWGFRBQXLPL-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 166.8
[M+Na]+ 314.13628 171.4
[M-H]- 290.13978 169.3
[M+NH4]+ 309.18088 182.4
[M+K]+ 330.11022 169.4
[M+H-H2O]+ 274.14432 160.8
[M+HCOO]- 336.14526 183.1
[M+CH3COO]- 350.16091 202.2
[M+Na-2H]- 312.12173 169.9
[M]+ 291.14651 165.8
[M]- 291.14761 165.8
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.