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
2
Annotation Hits

0
References

359
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.9
[M+Na]+ 214.120228 150.8
[M-H]- 190.123734 146.6
[M+NH4]+ 209.164833 167.2
[M+K]+ 230.094168 147.4
[M+H-H2O]+ 174.128270 139.1
[M+HCOO]- 236.129211 164.8
[M+CH3COO]- 250.144861 183.2
[M+Na-2H]- 212.105676 148.3
[M]+ 191.13046142 140.9
[M]- 191.13155858 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.