CID 115419299

2172503-69-2

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1CCC(C2=CC=CC=C12)(C(=O)OC)N
InChI
InChI=1S/C13H17NO2/c1-9-7-8-13(14,12(15)16-2)11-6-4-3-5-10(9)11/h3-6,9H,7-8,14H2,1-2H3
InChIKey
VWKSSWWGPAQPQB-UHFFFAOYSA-N
Compound name
methyl 1-amino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.2
[M+Na]+ 242.11515 160.7
[M+NH4]+ 237.15975 159.3
[M+K]+ 258.08909 152.5
[M-H]- 218.11865 152.1
[M+Na-2H]- 240.10060 155.7
[M]+ 219.12538 151.7
[M]- 219.12648 151.7
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.