CID 67726265

885271-40-9

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)CN
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-11-5-4-10(7-15)6-12(11)9-16/h4-6H,7-9,15H2,1-3H3
InChIKey
OGYVTVAVBOUPSP-UHFFFAOYSA-N
Compound name
tert-butyl 5-(aminomethyl)-1,3-dihydroisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

248.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 159.9
[M+Na]+ 271.141698 167.0
[M-H]- 247.145204 162.7
[M+NH4]+ 266.186303 178.8
[M+K]+ 287.115638 164.5
[M+H-H2O]+ 231.149740 153.8
[M+HCOO]- 293.150681 179.2
[M+CH3COO]- 307.166331 195.7
[M+Na-2H]- 269.127146 162.9
[M]+ 248.15193142 160.1
[M]- 248.15302858 160.1
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