CID 69379444

903555-96-4

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC(C)(C)OC(=O)NC1CCC2=C1C=CC(=C2)C#N
InChI
InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-7-5-11-8-10(9-16)4-6-12(11)13/h4,6,8,13H,5,7H2,1-3H3,(H,17,18)
InChIKey
MGRQZBYHVQSEQQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

258.13684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 167.1
[M+Na]+ 281.12606 176.2
[M-H]- 257.12956 170.8
[M+NH4]+ 276.17066 184.8
[M+K]+ 297.10000 171.5
[M+H-H2O]+ 241.13410 154.9
[M+HCOO]- 303.13504 184.4
[M+CH3COO]- 317.15069 208.4
[M+Na-2H]- 279.11151 169.8
[M]+ 258.13629 162.7
[M]- 258.13739 162.7
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

patents stripe