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]+ 192.138286 142.4
[M+Na]+ 214.120228 149.2
[M-H]- 190.123734 146.8
[M+NH4]+ 209.164833 163.3
[M+K]+ 230.094168 147.4
[M+H-H2O]+ 174.128270 136.5
[M+HCOO]- 236.129211 162.8
[M+CH3COO]- 250.144861 185.3
[M+Na-2H]- 212.105676 150.8
[M]+ 191.13046142 140.4
[M]- 191.13155858 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.