CID 165984711

Tert-butyl 4-[(methylamino)methyl]-2,3-dihydro-1h-isoindole-2-carboxylate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)C(=CC=C2)CNC
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-12-7-5-6-11(8-16-4)13(12)10-17/h5-7,16H,8-10H2,1-4H3
InChIKey
VRBHMMQFEKRGEJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(methylaminomethyl)-1,3-dihydroisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 164.1
[M+Na]+ 285.15734 170.7
[M-H]- 261.16084 167.2
[M+NH4]+ 280.20194 182.6
[M+K]+ 301.13128 168.3
[M+H-H2O]+ 245.16538 157.7
[M+HCOO]- 307.16632 183.6
[M+CH3COO]- 321.18197 199.3
[M+Na-2H]- 283.14279 167.5
[M]+ 262.16757 165.6
[M]- 262.16867 165.6
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.