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]+ 224.143376 149.6
[M+Na]+ 246.125318 156.8
[M-H]- 222.128824 153.7
[M+NH4]+ 241.169923 171.2
[M+K]+ 262.099258 151.1
[M+H-H2O]+ 206.133360 141.9
[M+HCOO]- 268.134301 166.3
[M+CH3COO]- 282.149951 161.3
[M+Na-2H]- 244.110766 155.5
[M]+ 223.13555142 145.6
[M]- 223.13664858 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.