CID 22170260

180080-60-8

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC1=C(C=CC=C1N)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C13H20N2O2/c1-9-10(6-5-7-11(9)14)8-15-12(16)17-13(2,3)4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKey
RNACIMILHGHUIR-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-amino-2-methylphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

236.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.4
[M+Na]+ 259.14170 162.8
[M-H]- 235.14520 159.8
[M+NH4]+ 254.18630 174.0
[M+K]+ 275.11564 161.1
[M+H-H2O]+ 219.14974 150.2
[M+HCOO]- 281.15068 179.1
[M+CH3COO]- 295.16633 197.4
[M+Na-2H]- 257.12715 160.0
[M]+ 236.15193 156.8
[M]- 236.15303 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

No literature data available for this compound.

Patent stripe

patents stripe