CID 11447711

371158-46-2

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC1=CC(=C(C=C1C)NC(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H20N2O2/c1-8-6-10(14)11(7-9(8)2)15-12(16)17-13(3,4)5/h6-7H,14H2,1-5H3,(H,15,16)
InChIKey
AVAMDLBTVJVCRL-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-4,5-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

236.15248 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.0
[M+Na]+ 259.141698 163.4
[M-H]- 235.145204 159.9
[M+NH4]+ 254.186303 173.9
[M+K]+ 275.115638 161.7
[M+H-H2O]+ 219.149740 150.1
[M+HCOO]- 281.150681 178.8
[M+CH3COO]- 295.166331 198.7
[M+Na-2H]- 257.127146 159.0
[M]+ 236.15193142 156.8
[M]- 236.15302858 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe