CID 16769291

897359-63-6

Structural Information

Molecular Formula
C12H17N3O
SMILES
CC1=CC(=CC=C1)NC(=O)N2CCNCC2
InChI
InChI=1S/C12H17N3O/c1-10-3-2-4-11(9-10)14-12(16)15-7-5-13-6-8-15/h2-4,9,13H,5-8H2,1H3,(H,14,16)
InChIKey
OAKPDRKCDSFKIL-UHFFFAOYSA-N
Compound name
N-(3-methylphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

219.13716 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.144436 151.4
[M+Na]+ 242.126378 155.6
[M-H]- 218.129884 153.1
[M+NH4]+ 237.170983 165.7
[M+K]+ 258.100318 151.9
[M+H-H2O]+ 202.134420 142.7
[M+HCOO]- 264.135361 168.5
[M+CH3COO]- 278.151011 186.6
[M+Na-2H]- 240.111826 155.7
[M]+ 219.13661142 144.3
[M]- 219.13770858 144.3
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