CID 130879980

1310907-22-2

Structural Information

Molecular Formula
C13H15N
SMILES
C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C3=CC=CC=C3)N
InChI
InChI=1S/C13H15N/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-13H,8,14H2/t10-,11+,12+,13+/m1/s1
InChIKey
JBNWXEDZMGVZJC-VOAKCMCISA-N
Compound name
(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 140.5
[M+Na]+ 208.109668 148.3
[M-H]- 184.113174 146.6
[M+NH4]+ 203.154273 165.2
[M+K]+ 224.083608 144.2
[M+H-H2O]+ 168.117710 135.2
[M+HCOO]- 230.118651 164.1
[M+CH3COO]- 244.134301 154.2
[M+Na-2H]- 206.095116 144.1
[M]+ 185.11990142 138.0
[M]- 185.12099858 138.0
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.