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]+ 277.191056 162.8
[M+Na]+ 299.172998 169.9
[M-H]- 275.176504 171.2
[M+NH4]+ 294.217603 174.6
[M+K]+ 315.146938 167.4
[M+H-H2O]+ 259.181040 155.9
[M+HCOO]- 321.181981 185.6
[M+CH3COO]- 335.197631 210.4
[M+Na-2H]- 297.158446 165.3
[M]+ 276.18323142 166.9
[M]- 276.18432858 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.