CID 57567331

873055-93-7

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC(C)C1=C(C=C(C=C1)NC(=O)OC(C)(C)C)N
InChI
InChI=1S/C14H22N2O2/c1-9(2)11-7-6-10(8-12(11)15)16-13(17)18-14(3,4)5/h6-9H,15H2,1-5H3,(H,16,17)
InChIKey
DBJTWYRNPZTDHS-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-4-propan-2-ylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

250.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 160.9
[M+Na]+ 273.15734 166.7
[M-H]- 249.16084 164.3
[M+NH4]+ 268.20194 177.9
[M+K]+ 289.13128 165.2
[M+H-H2O]+ 233.16538 154.7
[M+HCOO]- 295.16632 182.3
[M+CH3COO]- 309.18197 201.4
[M+Na-2H]- 271.14279 162.8
[M]+ 250.16757 161.0
[M]- 250.16867 161.0
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