CID 3042123

59083-95-3

Structural Information

Molecular Formula
C13H19N3O
SMILES
C1CN(CCC1(CO)C2=CC=CC=C2)C(=N)N
InChI
InChI=1S/C13H19N3O/c14-12(15)16-8-6-13(10-17,7-9-16)11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H3,14,15)
InChIKey
UDAIOGIRFZYWHH-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-4-phenylpiperidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 154.6
[M+Na]+ 256.142038 158.5
[M-H]- 232.145544 157.4
[M+NH4]+ 251.186643 171.1
[M+K]+ 272.115978 154.8
[M+H-H2O]+ 216.150080 147.1
[M+HCOO]- 278.151021 173.1
[M+CH3COO]- 292.166671 191.6
[M+Na-2H]- 254.127486 158.9
[M]+ 233.15227142 146.2
[M]- 233.15336858 146.2
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

No patent data available for this compound.