CID 132282778

4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1(CCC(C2=CC=CC=C21)C(=O)N)C
InChI
InChI=1S/C13H17NO/c1-13(2)8-7-10(12(14)15)9-5-3-4-6-11(9)13/h3-6,10H,7-8H2,1-2H3,(H2,14,15)
InChIKey
PYXLNYNUSZVTNW-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.6
[M+Na]+ 226.12023 152.7
[M-H]- 202.12373 149.6
[M+NH4]+ 221.16483 167.4
[M+K]+ 242.09417 149.7
[M+H-H2O]+ 186.12827 140.1
[M+HCOO]- 248.12921 165.6
[M+CH3COO]- 262.14486 189.5
[M+Na-2H]- 224.10568 150.7
[M]+ 203.13046 142.3
[M]- 203.13156 142.3
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.