CID 137965658

2230803-87-7

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(C)(C)OC(=O)C(C)(C)CC1=CC=C(C=C1)CN
InChI
InChI=1S/C16H25NO2/c1-15(2,3)19-14(18)16(4,5)10-12-6-8-13(11-17)9-7-12/h6-9H,10-11,17H2,1-5H3
InChIKey
UJOQFLQYYDTKTE-UHFFFAOYSA-N
Compound name
tert-butyl 3-[4-(aminomethyl)phenyl]-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 165.0
[M+Na]+ 286.177758 170.5
[M-H]- 262.181264 167.9
[M+NH4]+ 281.222363 181.7
[M+K]+ 302.151698 168.5
[M+H-H2O]+ 246.185800 159.2
[M+HCOO]- 308.186741 184.2
[M+CH3COO]- 322.202391 201.3
[M+Na-2H]- 284.163206 168.6
[M]+ 263.18799142 166.6
[M]- 263.18908858 166.6
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.