CID 730204

1-cyclopropanecarbonyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C12H13NO
SMILES
C1CC1C(=O)N2CCC3=CC=CC=C32
InChI
InChI=1S/C12H13NO/c14-12(10-5-6-10)13-8-7-9-3-1-2-4-11(9)13/h1-4,10H,5-8H2
InChIKey
GDLNXGWSSKHZBZ-UHFFFAOYSA-N
Compound name
cyclopropyl(2,3-dihydroindol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

187.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 142.4
[M+Na]+ 210.08894 151.8
[M-H]- 186.09244 149.2
[M+NH4]+ 205.13354 158.6
[M+K]+ 226.06288 147.9
[M+H-H2O]+ 170.09698 135.5
[M+HCOO]- 232.09792 163.6
[M+CH3COO]- 246.11357 155.3
[M+Na-2H]- 208.07439 146.8
[M]+ 187.09917 143.4
[M]- 187.10027 143.4
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