CID 417669

Benzyl n-(3-aminopropyl)carbamate hydrochloride

Structural Information

Molecular Formula
C11H16N2O2
SMILES
C1=CC=C(C=C1)COC(=O)NCCCN
InChI
InChI=1S/C11H16N2O2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,12H2,(H,13,14)
InChIKey
JXWABCYGGVHAHB-UHFFFAOYSA-N
Compound name
benzyl N-(3-aminopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

714
Patents

208.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.1
[M+Na]+ 231.11041 151.9
[M-H]- 207.11391 149.7
[M+NH4]+ 226.15501 164.9
[M+K]+ 247.08435 150.0
[M+H-H2O]+ 191.11845 140.0
[M+HCOO]- 253.11939 172.1
[M+CH3COO]- 267.13504 189.2
[M+Na-2H]- 229.09586 152.5
[M]+ 208.12064 146.5
[M]- 208.12174 146.5
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