CID 67369231

1093230-98-8

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(CNC2)C=C1
InChI
InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-11-5-4-9-7-14-8-10(9)6-11/h4-6,14H,7-8H2,1-3H3,(H,15,16)
InChIKey
DPUGUUBIARCUPJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

234.13683 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 155.2
[M+Na]+ 257.12605 161.3
[M-H]- 233.12955 156.9
[M+NH4]+ 252.17065 173.8
[M+K]+ 273.09999 158.5
[M+H-H2O]+ 217.13409 149.1
[M+HCOO]- 279.13503 173.9
[M+CH3COO]- 293.15068 189.6
[M+Na-2H]- 255.11150 160.0
[M]+ 234.13628 153.8
[M]- 234.13738 153.8
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