CID 3057210

73986-57-9

Structural Information

Molecular Formula
C15H21NO
SMILES
CN1CCC2(C1CCCC2)C3=CC(=CC=C3)O
InChI
InChI=1S/C15H21NO/c1-16-10-9-15(8-3-2-7-14(15)16)12-5-4-6-13(17)11-12/h4-6,11,14,17H,2-3,7-10H2,1H3
InChIKey
BLPUQJOLIDWSHR-UHFFFAOYSA-N
Compound name
3-(1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 155.5
[M+Na]+ 254.15153 161.4
[M-H]- 230.15503 159.7
[M+NH4]+ 249.19613 176.0
[M+K]+ 270.12547 157.0
[M+H-H2O]+ 214.15957 148.3
[M+HCOO]- 276.16051 171.8
[M+CH3COO]- 290.17616 166.5
[M+Na-2H]- 252.13698 158.3
[M]+ 231.16176 149.8
[M]- 231.16286 149.8
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.