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

10
Patents

234.13683 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 155.2
[M+Na]+ 257.126048 161.3
[M-H]- 233.129554 156.9
[M+NH4]+ 252.170653 173.8
[M+K]+ 273.099988 158.5
[M+H-H2O]+ 217.134090 149.1
[M+HCOO]- 279.135031 173.9
[M+CH3COO]- 293.150681 189.6
[M+Na-2H]- 255.111496 160.0
[M]+ 234.13628142 153.8
[M]- 234.13737858 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