CID 117236613

Tert-butyl n-[3-(aminomethyl)-5-methylphenyl]carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.4
[M+Na]+ 259.14170 165.9
[M+NH4]+ 254.18630 163.0
[M+K]+ 275.11564 161.3
[M-H]- 235.14520 157.9
[M+Na-2H]- 257.12715 161.0
[M]+ 236.15193 157.9
[M]- 236.15303 157.9
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

No patent data available for this compound.