CID 65623

Dietor

Structural Information

Molecular Formula
C12H17NO
SMILES
CCC(C1(CC2=CC=CC=C2C1)O)N
InChI
InChI=1S/C12H17NO/c1-2-11(13)12(14)7-9-5-3-4-6-10(9)8-12/h3-6,11,14H,2,7-8,13H2,1H3
InChIKey
QTZFSVVIXMRRLW-UHFFFAOYSA-N
Compound name
2-(1-aminopropyl)-1,3-dihydroinden-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.9
[M+Na]+ 214.12023 150.8
[M-H]- 190.12373 146.6
[M+NH4]+ 209.16483 167.2
[M+K]+ 230.09417 147.4
[M+H-H2O]+ 174.12827 139.1
[M+HCOO]- 236.12921 164.8
[M+CH3COO]- 250.14486 183.2
[M+Na-2H]- 212.10568 148.3
[M]+ 191.13046 140.9
[M]- 191.13156 140.9
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.