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

65
Patents

250.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.175396 160.9
[M+Na]+ 273.157338 166.7
[M-H]- 249.160844 164.3
[M+NH4]+ 268.201943 177.9
[M+K]+ 289.131278 165.2
[M+H-H2O]+ 233.165380 154.7
[M+HCOO]- 295.166321 182.3
[M+CH3COO]- 309.181971 201.4
[M+Na-2H]- 271.142786 162.8
[M]+ 250.16757142 161.0
[M]- 250.16866858 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