CID 3039209

42540-56-7

Structural Information

Molecular Formula
C14H17NO
SMILES
CC(=O)N1CC2(CCCC2)C3=CC=CC=C31
InChI
InChI=1S/C14H17NO/c1-11(16)15-10-14(8-4-5-9-14)12-6-2-3-7-13(12)15/h2-3,6-7H,4-5,8-10H2,1H3
InChIKey
WWXGSKCMGUTIOD-UHFFFAOYSA-N
Compound name
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

215.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 151.9
[M+Na]+ 238.12023 159.4
[M-H]- 214.12373 157.2
[M+NH4]+ 233.16483 176.0
[M+K]+ 254.09417 155.9
[M+H-H2O]+ 198.12827 145.7
[M+HCOO]- 260.12921 171.5
[M+CH3COO]- 274.14486 164.5
[M+Na-2H]- 236.10568 154.0
[M]+ 215.13046 149.0
[M]- 215.13156 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe