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]+ 231.14918 158.2
[M+Na]+ 253.13112 164.7
[M-H]- 229.13462 164.7
[M+NH4]+ 248.17572 168.1
[M+K]+ 269.10506 160.7
[M+H-H2O]+ 213.13916 148.6
[M+HCOO]- 275.14010 175.9
[M+CH3COO]- 289.15575 168.3
[M+Na-2H]- 251.11657 161.3
[M]+ 230.14135 155.3
[M]- 230.14245 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