CID 84699536

697310-52-4

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC=CC=C1NC
InChI
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-10-7-5-6-8-11(10)14-4/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKey
JELKXGNIYCDHKS-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

236.15248 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.5
[M+Na]+ 259.14170 165.9
[M+NH4]+ 254.18630 163.2
[M+K]+ 275.11564 160.9
[M-H]- 235.14520 158.1
[M+Na-2H]- 257.12715 161.8
[M]+ 236.15193 158.0
[M]- 236.15303 158.0
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