CID 130153955

Benzyl n-{3-[(3-aminopropyl)amino]propyl}carbamate hydrochloride

Structural Information

Molecular Formula
C14H23N3O2
SMILES
C1=CC=C(C=C1)COC(=O)NCCCNCCCN
InChI
InChI=1S/C14H23N3O2/c15-8-4-9-16-10-5-11-17-14(18)19-12-13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-12,15H2,(H,17,18)
InChIKey
YRJPETSTNJQVLI-UHFFFAOYSA-N
Compound name
benzyl N-[3-(3-aminopropylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

265.17902 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.18630 162.9
[M+Na]+ 288.16824 165.5
[M-H]- 264.17174 164.8
[M+NH4]+ 283.21284 177.9
[M+K]+ 304.14218 162.9
[M+H-H2O]+ 248.17628 154.6
[M+HCOO]- 310.17722 187.8
[M+CH3COO]- 324.19287 203.6
[M+Na-2H]- 286.15369 167.1
[M]+ 265.17847 162.6
[M]- 265.17957 162.6
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

patents stripe