CID 23359766

149505-97-5

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)NC1CCC2=C(C1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13-7-6-10-8-12(14(18)19)5-4-11(10)9-13/h4-5,8,13H,6-7,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
OVQFGIGAFBTYGP-UHFFFAOYSA-N
Compound name
6-[(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

38
Patents

291.14706 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 166.8
[M+Na]+ 314.136278 171.4
[M-H]- 290.139784 169.3
[M+NH4]+ 309.180883 182.4
[M+K]+ 330.110218 169.4
[M+H-H2O]+ 274.144320 160.8
[M+HCOO]- 336.145261 183.1
[M+CH3COO]- 350.160911 202.2
[M+Na-2H]- 312.121726 169.9
[M]+ 291.14651142 165.8
[M]- 291.14760858 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

patents stripe