CID 13513595

105271-55-4

Structural Information

Molecular Formula
C12H17NO
SMILES
CNCC1(CCCC2=CC=CC=C21)O
InChI
InChI=1S/C12H17NO/c1-13-9-12(14)8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,13-14H,4,6,8-9H2,1H3
InChIKey
JKCHJFFFSNOWEI-UHFFFAOYSA-N
Compound name
1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.0
[M+Na]+ 214.12023 148.1
[M-H]- 190.12373 144.8
[M+NH4]+ 209.16483 163.6
[M+K]+ 230.09417 144.8
[M+H-H2O]+ 174.12827 136.4
[M+HCOO]- 236.12921 162.3
[M+CH3COO]- 250.14486 183.4
[M+Na-2H]- 212.10568 150.1
[M]+ 191.13046 138.4
[M]- 191.13156 138.4
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.