CID 165699303

2408965-70-6

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC(C)(C)OC(=O)NC1(CCC2=C1C=C(C=C2)OC)CO
InChI
InChI=1S/C16H23NO4/c1-15(2,3)21-14(19)17-16(10-18)8-7-11-5-6-12(20-4)9-13(11)16/h5-6,9,18H,7-8,10H2,1-4H3,(H,17,19)
InChIKey
UYBRGCOPAGAILZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 169.2
[M+Na]+ 316.15194 175.7
[M-H]- 292.15544 172.4
[M+NH4]+ 311.19654 189.0
[M+K]+ 332.12588 173.7
[M+H-H2O]+ 276.15998 164.6
[M+HCOO]- 338.16092 188.6
[M+CH3COO]- 352.17657 201.0
[M+Na-2H]- 314.13739 173.6
[M]+ 293.16217 172.0
[M]- 293.16327 172.0
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.