CID 104697

Ethanol, 2-((2-((phenylmethyl)amino)ethyl)amino)-

Structural Information

Molecular Formula
C11H18N2O
SMILES
C1=CC=C(C=C1)CNCCNCCO
InChI
InChI=1S/C11H18N2O/c14-9-8-12-6-7-13-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKey
PEORPEBHZUHNFF-UHFFFAOYSA-N
Compound name
2-[2-(benzylamino)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.1419 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.14918 143.4
[M+Na]+ 217.13112 147.7
[M-H]- 193.13462 145.0
[M+NH4]+ 212.17572 161.4
[M+K]+ 233.10506 144.8
[M+H-H2O]+ 177.13916 136.6
[M+HCOO]- 239.14010 168.1
[M+CH3COO]- 253.15575 186.6
[M+Na-2H]- 215.11657 150.8
[M]+ 194.14135 142.1
[M]- 194.14245 142.1
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