CID 3042824

3-chromanamine, n-ethyl-7-methyl-, hydrochloride

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]+ 192.138286 141.8
[M+Na]+ 214.120228 148.5
[M-H]- 190.123734 146.7
[M+NH4]+ 209.164833 161.3
[M+K]+ 230.094168 146.9
[M+H-H2O]+ 174.128270 135.6
[M+HCOO]- 236.129211 162.8
[M+CH3COO]- 250.144861 187.5
[M+Na-2H]- 212.105676 149.5
[M]+ 191.13046142 140.8
[M]- 191.13155858 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.