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

literature stripe

Patent stripe

patents stripe