CID 65009110

(2-phenylspiro[3.3]heptan-2-yl)methanamine

Structural Information

Molecular Formula
C14H19N
SMILES
C1CC2(C1)CC(C2)(CN)C3=CC=CC=C3
InChI
InChI=1S/C14H19N/c15-11-14(12-5-2-1-3-6-12)9-13(10-14)7-4-8-13/h1-3,5-6H,4,7-11,15H2
InChIKey
MTWYVLBUNSZKOK-UHFFFAOYSA-N
Compound name
(2-phenylspiro[3.3]heptan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 142.5
[M+Na]+ 224.140968 146.7
[M-H]- 200.144474 150.1
[M+NH4]+ 219.185573 151.8
[M+K]+ 240.114908 148.8
[M+H-H2O]+ 184.149010 128.5
[M+HCOO]- 246.149951 161.2
[M+CH3COO]- 260.165601 198.4
[M+Na-2H]- 222.126416 148.7
[M]+ 201.15120142 154.9
[M]- 201.15229858 154.9
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.