CID 54594840

Tert-butyl n-[4-(aminomethyl)-2-methylphenyl]-n-cyclopropylcarbamate

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1=C(C=CC(=C1)CN)N(C2CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H24N2O2/c1-11-9-12(10-17)5-8-14(11)18(13-6-7-13)15(19)20-16(2,3)4/h5,8-9,13H,6-7,10,17H2,1-4H3
InChIKey
IEHKQZSPIVSKKU-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(aminomethyl)-2-methylphenyl]-N-cyclopropylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 162.8
[M+Na]+ 299.17300 169.9
[M-H]- 275.17650 171.2
[M+NH4]+ 294.21760 174.6
[M+K]+ 315.14694 167.4
[M+H-H2O]+ 259.18104 155.9
[M+HCOO]- 321.18198 185.6
[M+CH3COO]- 335.19763 210.4
[M+Na-2H]- 297.15845 165.3
[M]+ 276.18323 166.9
[M]- 276.18433 166.9
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.