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]+ 265.191056 165.5
[M+Na]+ 287.172998 169.1
[M-H]- 263.176504 168.2
[M+NH4]+ 282.217603 181.5
[M+K]+ 303.146938 167.1
[M+H-H2O]+ 247.181040 158.3
[M+HCOO]- 309.181981 188.2
[M+CH3COO]- 323.197631 201.6
[M+Na-2H]- 285.158446 170.5
[M]+ 264.18323142 166.8
[M]- 264.18432858 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