CID 99972

82589-58-0

Structural Information

Molecular Formula
C16H17N
SMILES
C1CC2CC3=C(CN2C1)C4=CC=CC=C4C=C3
InChI
InChI=1S/C16H17N/c1-2-6-15-12(4-1)7-8-13-10-14-5-3-9-17(14)11-16(13)15/h1-2,4,6-8,14H,3,5,9-11H2
InChIKey
VKDTZLZOEHGFPH-UHFFFAOYSA-N
Compound name
7,7a,8,9,10,12-hexahydronaphtho[1,2-f]indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 149.6
[M+Na]+ 246.12532 156.8
[M-H]- 222.12882 153.7
[M+NH4]+ 241.16992 171.2
[M+K]+ 262.09926 151.1
[M+H-H2O]+ 206.13336 141.9
[M+HCOO]- 268.13430 166.3
[M+CH3COO]- 282.14995 161.3
[M+Na-2H]- 244.11077 155.5
[M]+ 223.13555 145.6
[M]- 223.13665 145.6
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.