CID 3042824

60575-22-6

Structural Information

Molecular Formula
C12H17NO
SMILES
CCNC1CC2=C(C=C(C=C2)C)OC1
InChI
InChI=1S/C12H17NO/c1-3-13-11-7-10-5-4-9(2)6-12(10)14-8-11/h4-6,11,13H,3,7-8H2,1-2H3
InChIKey
RWOUYXROLCSNGP-UHFFFAOYSA-N
Compound name
N-ethyl-7-methyl-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 141.8
[M+Na]+ 214.12023 148.5
[M-H]- 190.12373 146.7
[M+NH4]+ 209.16483 161.3
[M+K]+ 230.09417 146.9
[M+H-H2O]+ 174.12827 135.6
[M+HCOO]- 236.12921 162.8
[M+CH3COO]- 250.14486 187.5
[M+Na-2H]- 212.10568 149.5
[M]+ 191.13046 140.8
[M]- 191.13156 140.8
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.