CID 55296443

100368-89-6

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C)OC1=CC2=C(C=C1)C(CC2)N
InChI
InChI=1S/C12H17NO/c1-8(2)14-10-4-5-11-9(7-10)3-6-12(11)13/h4-5,7-8,12H,3,6,13H2,1-2H3
InChIKey
GXSQCZRBFGYKAL-UHFFFAOYSA-N
Compound name
5-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.3
[M+Na]+ 214.120228 150.5
[M-H]- 190.123734 147.4
[M+NH4]+ 209.164833 165.6
[M+K]+ 230.094168 148.0
[M+H-H2O]+ 174.128270 137.8
[M+HCOO]- 236.129211 165.7
[M+CH3COO]- 250.144861 187.4
[M+Na-2H]- 212.105676 146.4
[M]+ 191.13046142 142.2
[M]- 191.13155858 142.2
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

patents stripe