CID 15338704

220634-41-3

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1(C[C@@H](C2=CC=CC=C2O1)N)C
InChI
InChI=1S/C11H15NO/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9H,7,12H2,1-2H3/t9-/m0/s1
InChIKey
YSTIIIRGSQEQNH-VIFPVBQESA-N
Compound name
(4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

177.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 137.6
[M+Na]+ 200.104588 145.7
[M-H]- 176.108094 142.5
[M+NH4]+ 195.149193 159.4
[M+K]+ 216.078528 144.2
[M+H-H2O]+ 160.112630 132.2
[M+HCOO]- 222.113571 158.2
[M+CH3COO]- 236.129221 183.4
[M+Na-2H]- 198.090036 145.8
[M]+ 177.11482142 135.6
[M]- 177.11591858 135.6
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

patents stripe