CID 216016

37012-00-3

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CC1C(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C14H18N2O/c17-14(12-6-7-12)16-10-8-15(9-11-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKey
UMZDCPNRJWGFBR-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-phenylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

230.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 158.2
[M+Na]+ 253.131118 164.7
[M-H]- 229.134624 164.7
[M+NH4]+ 248.175723 168.1
[M+K]+ 269.105058 160.7
[M+H-H2O]+ 213.139160 148.6
[M+HCOO]- 275.140101 175.9
[M+CH3COO]- 289.155751 168.3
[M+Na-2H]- 251.116566 161.3
[M]+ 230.14135142 155.3
[M]- 230.14244858 155.3
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