CID 208743

32920-66-4

Structural Information

Molecular Formula
C16H23N
SMILES
CCCC12CCN(C1CCC3=CC=CC=C23)C
InChI
InChI=1S/C16H23N/c1-3-10-16-11-12-17(2)15(16)9-8-13-6-4-5-7-14(13)16/h4-7,15H,3,8-12H2,1-2H3
InChIKey
CYQVVPQPSRXGMV-UHFFFAOYSA-N
Compound name
3-methyl-9b-propyl-2,3a,4,5-tetrahydro-1H-benzo[e]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 156.5
[M+Na]+ 252.17226 163.5
[M-H]- 228.17576 159.7
[M+NH4]+ 247.21686 179.2
[M+K]+ 268.14620 158.8
[M+H-H2O]+ 212.18030 149.4
[M+HCOO]- 274.18124 173.5
[M+CH3COO]- 288.19689 168.0
[M+Na-2H]- 250.15771 160.6
[M]+ 229.18249 154.1
[M]- 229.18359 154.1
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.