CID 137952162

N-benzylspiro[3.5]nonan-5-amine

Structural Information

Molecular Formula
C16H23N
SMILES
C1CCC2(CCC2)C(C1)NCC3=CC=CC=C3
InChI
InChI=1S/C16H23N/c1-2-7-14(8-3-1)13-17-15-9-4-5-10-16(15)11-6-12-16/h1-3,7-8,15,17H,4-6,9-13H2
InChIKey
ZSOZUISXFHDFDJ-UHFFFAOYSA-N
Compound name
N-benzylspiro[3.5]nonan-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 150.8
[M+Na]+ 252.172258 153.1
[M-H]- 228.175764 157.9
[M+NH4]+ 247.216863 163.8
[M+K]+ 268.146198 152.4
[M+H-H2O]+ 212.180300 138.3
[M+HCOO]- 274.181241 169.6
[M+CH3COO]- 288.196891 195.1
[M+Na-2H]- 250.157706 156.5
[M]+ 229.18249142 152.5
[M]- 229.18358858 152.5
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.