CID 3041599

54445-00-0

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=CC2=C(CC(CO2)N)C=C1
InChI
InChI=1S/C10H13NO/c1-7-2-3-8-5-9(11)6-12-10(8)4-7/h2-4,9H,5-6,11H2,1H3
InChIKey
QIKXPTHDJOHQPE-UHFFFAOYSA-N
Compound name
7-methyl-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.1
[M+Na]+ 186.08894 140.7
[M-H]- 162.09244 137.8
[M+NH4]+ 181.13354 153.4
[M+K]+ 202.06288 139.2
[M+H-H2O]+ 146.09698 127.3
[M+HCOO]- 208.09792 154.1
[M+CH3COO]- 222.11357 180.8
[M+Na-2H]- 184.07439 140.8
[M]+ 163.09917 130.4
[M]- 163.10027 130.4
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.