CID 18399977

6-amino-3,3-dimethyl-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1(CC(C2=C1C=CC(=C2)N)O)C
InChI
InChI=1S/C11H15NO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6,12H2,1-2H3
InChIKey
JLXSVICIDAARHB-UHFFFAOYSA-N
Compound name
6-amino-3,3-dimethyl-1,2-dihydroinden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.5
[M+Na]+ 200.10459 147.0
[M-H]- 176.10809 141.1
[M+NH4]+ 195.14919 162.1
[M+K]+ 216.07853 143.4
[M+H-H2O]+ 160.11263 133.4
[M+HCOO]- 222.11357 159.8
[M+CH3COO]- 236.12922 181.7
[M+Na-2H]- 198.09004 142.5
[M]+ 177.11482 135.6
[M]- 177.11592 135.6
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