CID 20631705

697306-51-7

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)NC
InChI
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-10-5-7-11(14-4)8-6-10/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKey
SSFHZITVVKTCQB-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(methylamino)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

236.15248 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.2
[M+Na]+ 259.14170 161.6
[M-H]- 235.14520 159.7
[M+NH4]+ 254.18630 173.7
[M+K]+ 275.11564 160.1
[M+H-H2O]+ 219.14974 149.7
[M+HCOO]- 281.15068 179.6
[M+CH3COO]- 295.16633 196.8
[M+Na-2H]- 257.12715 161.6
[M]+ 236.15193 157.2
[M]- 236.15303 157.2
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