CID 2741922

92043-13-5

Structural Information

Molecular Formula
C13H17N3O
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC#N
InChI
InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,7-11H2,1H3
InChIKey
CMNAMTJQXKKSGP-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)piperazin-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 149.6
[M+Na]+ 254.12638 157.4
[M-H]- 230.12988 151.4
[M+NH4]+ 249.17098 162.7
[M+K]+ 270.10032 153.0
[M+H-H2O]+ 214.13442 134.1
[M+HCOO]- 276.13536 164.2
[M+CH3COO]- 290.15101 202.1
[M+Na-2H]- 252.11183 153.6
[M]+ 231.13661 142.1
[M]- 231.13771 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

literature stripe

Patent stripe

patents stripe