CID 43182895

3-[(2,3-dihydro-1h-inden-1-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC2=CC=CC=C2C1NCCCO
InChI
InChI=1S/C12H17NO/c14-9-3-8-13-12-7-6-10-4-1-2-5-11(10)12/h1-2,4-5,12-14H,3,6-9H2
InChIKey
QWRWSZFHGPDGNF-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.2
[M+Na]+ 214.12023 148.3
[M-H]- 190.12373 144.9
[M+NH4]+ 209.16483 163.7
[M+K]+ 230.09417 144.7
[M+H-H2O]+ 174.12827 136.4
[M+HCOO]- 236.12921 164.7
[M+CH3COO]- 250.14486 183.5
[M+Na-2H]- 212.10568 147.8
[M]+ 191.13046 140.5
[M]- 191.13156 140.5
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.