CID 13875030

1936186-34-3

Structural Information

Molecular Formula
C14H17N
SMILES
CC1C2CC(N1CC3=CC=CC=C3)C=C2
InChI
InChI=1S/C14H17N/c1-11-13-7-8-14(9-13)15(11)10-12-5-3-2-4-6-12/h2-8,11,13-14H,9-10H2,1H3
InChIKey
UODCZKFJFLNXBN-UHFFFAOYSA-N
Compound name
2-benzyl-3-methyl-2-azabicyclo[2.2.1]hept-5-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

199.1361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.143376 146.2
[M+Na]+ 222.125318 154.4
[M-H]- 198.128824 151.3
[M+NH4]+ 217.169923 169.6
[M+K]+ 238.099258 150.5
[M+H-H2O]+ 182.133360 139.9
[M+HCOO]- 244.134301 167.8
[M+CH3COO]- 258.149951 159.6
[M+Na-2H]- 220.110766 149.3
[M]+ 199.13555142 146.2
[M]- 199.13664858 146.2
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

patents stripe