CID 79479596

{1-[(benzylamino)methyl]cyclopropyl}methanol

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CC1(CNCC2=CC=CC=C2)CO

InChI

InChI=1S/C12H17NO/c14-10-12(6-7-12)9-13-8-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2

InChIKey

WEEUEQDFUUGTBY-UHFFFAOYSA-N

Compound name

[1-[(benzylamino)methyl]cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.13101 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.13829	140.0
[M+Na]+	214.12023	147.6
[M-H]-	190.12373	146.1
[M+NH4]+	209.16483	155.7
[M+K]+	230.09417	144.7
[M+H-H2O]+	174.12827	134.2
[M+HCOO]-	236.12921	163.7
[M+CH3COO]-	250.14486	185.9
[M+Na-2H]-	212.10568	148.3
[M]+	191.13046	141.5
[M]-	191.13156	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe