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]+ 230.19032 150.8
[M+Na]+ 252.17226 153.1
[M-H]- 228.17576 157.9
[M+NH4]+ 247.21686 163.8
[M+K]+ 268.14620 152.4
[M+H-H2O]+ 212.18030 138.3
[M+HCOO]- 274.18124 169.6
[M+CH3COO]- 288.19689 195.1
[M+Na-2H]- 250.15771 156.5
[M]+ 229.18249 152.5
[M]- 229.18359 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.