CID 57826542

1015068-35-5

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)(C)OC(=O)N(C)CC(CC1=CC=CC=C1)N
InChI
InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17(4)11-13(16)10-12-8-6-5-7-9-12/h5-9,13H,10-11,16H2,1-4H3
InChIKey
RJMUEHMBOAVHHB-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-3-phenylpropyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

264.18378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.191056 166.0
[M+Na]+ 287.172998 169.6
[M-H]- 263.176504 169.8
[M+NH4]+ 282.217603 182.3
[M+K]+ 303.146938 169.2
[M+H-H2O]+ 247.181040 158.8
[M+HCOO]- 309.181981 187.6
[M+CH3COO]- 323.197631 205.3
[M+Na-2H]- 285.158446 168.0
[M]+ 264.18323142 167.0
[M]- 264.18432858 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe