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 149.0
[M+Na]+ 242.11515 156.1
[M-H]- 218.11865 153.0
[M+NH4]+ 237.15975 170.2
[M+K]+ 258.08909 153.7
[M+H-H2O]+ 202.12319 143.4
[M+HCOO]- 264.12413 169.3
[M+CH3COO]- 278.13978 191.0
[M+Na-2H]- 240.10060 154.2
[M]+ 219.12538 147.1
[M]- 219.12648 147.1
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.