CID 53268

75463-38-6

Structural Information

Molecular Formula
C14H17NO
SMILES
CC(=O)NC1CCC2=C1C=C3CCCC3=C2
InChI
InChI=1S/C14H17NO/c1-9(16)15-14-6-5-12-7-10-3-2-4-11(10)8-13(12)14/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKey
YWJFSPNAXUXYJA-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 149.9
[M+Na]+ 238.12023 156.6
[M-H]- 214.12373 155.1
[M+NH4]+ 233.16483 173.9
[M+K]+ 254.09417 153.0
[M+H-H2O]+ 198.12827 144.7
[M+HCOO]- 260.12921 171.5
[M+CH3COO]- 274.14486 162.6
[M+Na-2H]- 236.10568 152.2
[M]+ 215.13046 147.8
[M]- 215.13156 147.8
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

patents stripe