CID 86346323

1449201-17-5

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)NC1CCC2=C(C1)C=CC=C2C(=O)O
InChI
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-11-7-8-12-10(9-11)5-4-6-13(12)14(18)19/h4-6,11H,7-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
VNSFCRMTSFYSNY-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 166.6
[M+Na]+ 314.13628 175.4
[M+NH4]+ 309.18088 172.7
[M+K]+ 330.11022 171.6
[M-H]- 290.13978 166.8
[M+Na-2H]- 312.12173 169.3
[M]+ 291.14651 167.6
[M]- 291.14761 167.6
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.