CID 119031549

26481-46-9

Structural Information

Molecular Formula
C12H17NO
SMILES
CCC1(C2=CC=CC=C2CCO1)CN
InChI
InChI=1S/C12H17NO/c1-2-12(9-13)11-6-4-3-5-10(11)7-8-14-12/h3-6H,2,7-9,13H2,1H3
InChIKey
RBFODLJQOZFKJW-UHFFFAOYSA-N
Compound name
(1-ethyl-3,4-dihydroisochromen-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.4
[M+Na]+ 214.12023 149.2
[M-H]- 190.12373 146.8
[M+NH4]+ 209.16483 163.3
[M+K]+ 230.09417 147.4
[M+H-H2O]+ 174.12827 136.5
[M+HCOO]- 236.12921 162.8
[M+CH3COO]- 250.14486 185.3
[M+Na-2H]- 212.10568 150.8
[M]+ 191.13046 140.4
[M]- 191.13156 140.4
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.