CID 118825

35452-76-7

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

C1CC1CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C14H20N2/c1-2-4-14(5-3-1)16-10-8-15(9-11-16)12-13-6-7-13/h1-5,13H,6-12H2

InChIKey

GBGRHUOVKZYPEE-UHFFFAOYSA-N

Compound name

1-(cyclopropylmethyl)-4-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 216.16264 Da
Monoisotopic Mass: 2.6
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]+	217.16992	155.3
[M+Na]+	239.15186	161.8
[M-H]-	215.15536	161.6
[M+NH4]+	234.19646	165.9
[M+K]+	255.12580	157.7
[M+H-H2O]+	199.15990	145.6
[M+HCOO]-	261.16084	173.6
[M+CH3COO]-	275.17649	165.6
[M+Na-2H]-	237.13731	159.6
[M]+	216.16209	152.4
[M]-	216.16319	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe