CID 10244573

90914-08-2

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)(C)OC(=O)NCCCNCC1=CC=CC=C1
InChI
InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-7-10-16-12-13-8-5-4-6-9-13/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,17,18)
InChIKey
MUCVPGXECWXUCZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(benzylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

264.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 165.5
[M+Na]+ 287.17300 169.1
[M-H]- 263.17650 168.2
[M+NH4]+ 282.21760 181.5
[M+K]+ 303.14694 167.1
[M+H-H2O]+ 247.18104 158.3
[M+HCOO]- 309.18198 188.2
[M+CH3COO]- 323.19763 201.6
[M+Na-2H]- 285.15845 170.5
[M]+ 264.18323 166.8
[M]- 264.18433 166.8
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

patents stripe