CID 40863

53757-84-9

Structural Information

Molecular Formula
C15H21N
SMILES
CC1(C2CN(CCC2C3=CC=CC=C31)C)C
InChI
InChI=1S/C15H21N/c1-15(2)13-7-5-4-6-11(13)12-8-9-16(3)10-14(12)15/h4-7,12,14H,8-10H2,1-3H3
InChIKey
LLUZPUSOEREAMZ-UHFFFAOYSA-N
Compound name
2,9,9-trimethyl-3,4,4a,9a-tetrahydro-1H-indeno[2,1-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.174676 151.4
[M+Na]+ 238.156618 159.8
[M-H]- 214.160124 155.2
[M+NH4]+ 233.201223 175.1
[M+K]+ 254.130558 155.3
[M+H-H2O]+ 198.164660 144.9
[M+HCOO]- 260.165601 168.7
[M+CH3COO]- 274.181251 163.8
[M+Na-2H]- 236.142066 155.4
[M]+ 215.16685142 149.1
[M]- 215.16794858 149.1
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.