CID 10847423

167756-90-3

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)(C)OC(=O)N(C)CC1=CC(=CC=C1)N
InChI
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15(4)9-10-6-5-7-11(14)8-10/h5-8H,9,14H2,1-4H3
InChIKey
WKSUFZUBKZRSME-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-aminophenyl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

236.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.3
[M+Na]+ 259.14170 162.0
[M-H]- 235.14520 160.8
[M+NH4]+ 254.18630 174.2
[M+K]+ 275.11564 161.6
[M+H-H2O]+ 219.14974 149.7
[M+HCOO]- 281.15068 179.6
[M+CH3COO]- 295.16633 199.6
[M+Na-2H]- 257.12715 159.9
[M]+ 236.15193 157.6
[M]- 236.15303 157.6
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