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]+ 186.12773 140.5
[M+Na]+ 208.10967 148.3
[M-H]- 184.11317 146.6
[M+NH4]+ 203.15427 165.2
[M+K]+ 224.08361 144.2
[M+H-H2O]+ 168.11771 135.2
[M+HCOO]- 230.11865 164.1
[M+CH3COO]- 244.13430 154.2
[M+Na-2H]- 206.09512 144.1
[M]+ 185.11990 138.0
[M]- 185.12100 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.