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

708
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

No literature data available for this compound.

Patent stripe

patents stripe