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]+ 202.15903 142.5
[M+Na]+ 224.14097 146.7
[M-H]- 200.14447 150.1
[M+NH4]+ 219.18557 151.8
[M+K]+ 240.11491 148.8
[M+H-H2O]+ 184.14901 128.5
[M+HCOO]- 246.14995 161.2
[M+CH3COO]- 260.16560 198.4
[M+Na-2H]- 222.12642 148.7
[M]+ 201.15120 154.9
[M]- 201.15230 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.