CID 101043821

Tert-butyl 4-(aminomethyl)isoindoline-2-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

248.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.2
[M+Na]+ 271.14170 167.5
[M+NH4]+ 266.18630 165.3
[M+K]+ 287.11564 164.6
[M-H]- 247.14520 158.6
[M+Na-2H]- 269.12715 161.3
[M]+ 248.15193 159.4
[M]- 248.15303 159.4
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