CID 13846777

(4-aminobutyl)(benzyloxy)amine dihydrochloride

Structural Information

Molecular Formula
C11H18N2O
SMILES
C1=CC=C(C=C1)CONCCCCN
InChI
InChI=1S/C11H18N2O/c12-8-4-5-9-13-14-10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10,12H2
InChIKey
VEGOOVMQKQHART-UHFFFAOYSA-N
Compound name
N'-phenylmethoxybutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1419 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.14918 143.6
[M+Na]+ 217.13112 148.4
[M-H]- 193.13462 146.0
[M+NH4]+ 212.17572 162.1
[M+K]+ 233.10506 146.0
[M+H-H2O]+ 177.13916 136.6
[M+HCOO]- 239.14010 169.2
[M+CH3COO]- 253.15575 188.5
[M+Na-2H]- 215.11657 150.4
[M]+ 194.14135 143.2
[M]- 194.14245 143.2
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

No patent data available for this compound.